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Acylaminobenzoic acid and derivatives

Acylaminobenzoic acid and derivatives

Organic compounds that consist of a benzoic acid with an acylamino substitution; an acylamino substitution consists of a carbon atom bonded to a carbonyl group that is bonded to a nitrogen atom bonded to a hydrogen atom and an organic group.
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1 – 15 of 27 results
1

4-Acetamidobenzoyl chloride, 95%, Thermo Scientific Chemicals

CAS: 16331-48-9 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.618 MDL Number: MFCD02094022 InChI Key: KRKXGCJUNKZXOY-UHFFFAOYSA-N PubChem CID: 7010341 IUPAC Name: 4-acetamidobenzoyl chloride SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)Cl

PubChem CID 7010341
CAS 16331-48-9
Molecular Weight (g/mol) 197.618
MDL Number MFCD02094022
SMILES CC(=O)NC1=CC=C(C=C1)C(=O)Cl
IUPAC Name 4-acetamidobenzoyl chloride
InChI Key KRKXGCJUNKZXOY-UHFFFAOYSA-N
Molecular Formula C9H8ClNO2
2

Methyl 2-acetamido-5-chlorobenzoate, 97%, Thermo Scientific™

CAS: 20676-54-4 Molecular Formula: C10H10ClNO3 Molecular Weight (g/mol): 227.64 MDL Number: MFCD00144759 InChI Key: TVAAIYFBEWHVCV-UHFFFAOYSA-N Synonym: 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate PubChem CID: 4640571 IUPAC Name: methyl 2-acetamido-5-chlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1NC(C)=O

PubChem CID 4640571
CAS 20676-54-4
Molecular Weight (g/mol) 227.64
MDL Number MFCD00144759
SMILES COC(=O)C1=CC(Cl)=CC=C1NC(C)=O
Synonym 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate
IUPAC Name methyl 2-acetamido-5-chlorobenzoate
InChI Key TVAAIYFBEWHVCV-UHFFFAOYSA-N
Molecular Formula C10H10ClNO3
3

4-Acetamido-2-methylbenzoic acid, 96%, Thermo Scientific Chemicals

CAS: 103204-69-9 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD02258874 InChI Key: AQPDTYYKDYMCTH-UHFFFAOYSA-N Synonym: 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid PubChem CID: 2735224 IUPAC Name: 4-acetamido-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O

PubChem CID 2735224
CAS 103204-69-9
Molecular Weight (g/mol) 193.202
MDL Number MFCD02258874
SMILES CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
Synonym 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid
IUPAC Name 4-acetamido-2-methylbenzoic acid
InChI Key AQPDTYYKDYMCTH-UHFFFAOYSA-N
Molecular Formula C10H11NO3
4

N-Succinimidyl 3-maleimidobenzoate, 95%, Thermo Scientific Chemicals

CAS: 58626-38-3 Molecular Formula: C15H10N2O6 Molecular Weight (g/mol): 314.253 MDL Number: MFCD00005514 InChI Key: LLXVXPPXELIDGQ-UHFFFAOYSA-N Synonym: 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 PubChem CID: 93861 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O

PubChem CID 93861
CAS 58626-38-3
Molecular Weight (g/mol) 314.253
MDL Number MFCD00005514
SMILES C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
Synonym 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate
InChI Key LLXVXPPXELIDGQ-UHFFFAOYSA-N
Molecular Formula C15H10N2O6
6

5-Acetamido-2-aminobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 50670-83-2 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00060120 InChI Key: GSOHXJQXAKNJES-UHFFFAOYSA-N Synonym: 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid PubChem CID: 170890 IUPAC Name: 5-acetamido-2-aminobenzoic acid SMILES: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O

PubChem CID 170890
CAS 50670-83-2
Molecular Weight (g/mol) 194.19
MDL Number MFCD00060120
SMILES CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
Synonym 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid
IUPAC Name 5-acetamido-2-aminobenzoic acid
InChI Key GSOHXJQXAKNJES-UHFFFAOYSA-N
Molecular Formula C9H10N2O3
7

N-(4-Carboxyphenyl)succinamic acid, 99%, Thermo Scientific Chemicals

CAS: 76475-62-2 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.21 MDL Number: MFCD00020530 InChI Key: IOKXKKSBNJCKOY-UHFFFAOYSA-N Synonym: 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid PubChem CID: 765581 IUPAC Name: 4-(3-carboxypropanoylamino)benzoic acid SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O

PubChem CID 765581
CAS 76475-62-2
Molecular Weight (g/mol) 237.21
MDL Number MFCD00020530
SMILES OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O
Synonym 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid
IUPAC Name 4-(3-carboxypropanoylamino)benzoic acid
InChI Key IOKXKKSBNJCKOY-UHFFFAOYSA-N
Molecular Formula C11H11NO5
8

4-Acetamido-3-nitrobenzoic acid, 97+%, Thermo Scientific™

CAS: 1539-06-6 Molecular Formula: C9H8N2O5 Molecular Weight (g/mol): 224.172 MDL Number: MFCD00014703 InChI Key: BRQIMWBIZLRLSV-UHFFFAOYSA-N Synonym: 4-acetamido-3-nitrobenzoic acid,4-acetylamino-3-nitrobenzoic acid,benzoic acid, 4-acetylamino-3-nitro,unii-9w2250fzkc,4-acetamino-3-nitrobenzoic acid,4-acetamido-3-nitro-benzoic acid,4-acetylamino-3-nitro-benzoic acid,pubchem16827,acmc-1bqk5 PubChem CID: 73758 SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 73758
CAS 1539-06-6
Molecular Weight (g/mol) 224.172
MDL Number MFCD00014703
SMILES CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-acetamido-3-nitrobenzoic acid,4-acetylamino-3-nitrobenzoic acid,benzoic acid, 4-acetylamino-3-nitro,unii-9w2250fzkc,4-acetamino-3-nitrobenzoic acid,4-acetamido-3-nitro-benzoic acid,4-acetylamino-3-nitro-benzoic acid,pubchem16827,acmc-1bqk5
InChI Key BRQIMWBIZLRLSV-UHFFFAOYSA-N
Molecular Formula C9H8N2O5
9

Methyl 2-(acetylamino)-3-nitrobenzoate, 97%, Thermo Scientific™

CAS: 95067-27-9 Molecular Formula: C10H10N2O5 Molecular Weight (g/mol): 238.20 MDL Number: MFCD00157613 InChI Key: PHFRWNCHBPVTJN-UHFFFAOYSA-N Synonym: methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester PubChem CID: 2782278 IUPAC Name: methyl 2-acetamido-3-nitrobenzoate SMILES: COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O

PubChem CID 2782278
CAS 95067-27-9
Molecular Weight (g/mol) 238.20
MDL Number MFCD00157613
SMILES COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O
Synonym methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester
IUPAC Name methyl 2-acetamido-3-nitrobenzoate
InChI Key PHFRWNCHBPVTJN-UHFFFAOYSA-N
Molecular Formula C10H10N2O5
10

2-Acetamido-6-chlorobenzoic acid, 99%, Thermo Scientific™

CAS: 19407-42-2 Molecular Formula: C9H8ClNO3 Molecular Weight (g/mol): 213.617 MDL Number: MFCD00051939 InChI Key: VFHSJTHAMJFUCK-UHFFFAOYSA-N Synonym: 2-acetylamino-6-chlorobenzoic acid,2-n-acetylamino-6-chlorobenzoic acid,2-chloro-6-acetamidobenzoic acid,benzoic acid, 2-acetylamino-6-chloro,acmc-20ao6f,2-acetamido-6-chloro-benzoic acid,6-chloro-2-methylcarbonylamino benzoic acid PubChem CID: 88044 IUPAC Name: 2-acetamido-6-chlorobenzoic acid SMILES: CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O

PubChem CID 88044
CAS 19407-42-2
Molecular Weight (g/mol) 213.617
MDL Number MFCD00051939
SMILES CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O
Synonym 2-acetylamino-6-chlorobenzoic acid,2-n-acetylamino-6-chlorobenzoic acid,2-chloro-6-acetamidobenzoic acid,benzoic acid, 2-acetylamino-6-chloro,acmc-20ao6f,2-acetamido-6-chloro-benzoic acid,6-chloro-2-methylcarbonylamino benzoic acid
IUPAC Name 2-acetamido-6-chlorobenzoic acid
InChI Key VFHSJTHAMJFUCK-UHFFFAOYSA-N
Molecular Formula C9H8ClNO3
11

3-Acetamidobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 587-48-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00013983 InChI Key: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC Name: 3-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O

PubChem CID 48847
CAS 587-48-4
Molecular Weight (g/mol) 179.175
MDL Number MFCD00013983
SMILES CC(=O)NC1=CC=CC(=C1)C(=O)O
Synonym 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide
IUPAC Name 3-acetamidobenzoic acid
InChI Key RGDPZMQZWZMONQ-UHFFFAOYSA-N
Molecular Formula C9H9NO3
13

BIBR 1532, Tocris Bioscience™

CAS: 321674-73-1 Molecular Formula: C21H17NO3 Molecular Weight (g/mol): 331.371 InChI Key: PGFQXGLPJUCTOI-WYMLVPIESA-N Synonym: e-2-3-naphthalen-2-yl but-2-enamido benzoic acid,chembl27323,2-2e-3-naphthalen-2-yl but-2-enamido benzoic acid,2-3-naphthalen-2-yl-but-2-enoylamino-benzoic acid,2-e-3-naphthalen-2-yl-but-2-enoylamino-benzoic acid,2-2e-3-naphthalen-2-yl but-2-enoyl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl1-yl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl1-yl amino benzoicacid PubChem CID: 9927531 IUPAC Name: 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid SMILES: CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2

PubChem CID 9927531
CAS 321674-73-1
Molecular Weight (g/mol) 331.371
SMILES CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2
Synonym e-2-3-naphthalen-2-yl but-2-enamido benzoic acid,chembl27323,2-2e-3-naphthalen-2-yl but-2-enamido benzoic acid,2-3-naphthalen-2-yl-but-2-enoylamino-benzoic acid,2-e-3-naphthalen-2-yl-but-2-enoylamino-benzoic acid,2-2e-3-naphthalen-2-yl but-2-enoyl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl1-yl amino benzoic acid,2-2e-3-2-naphthalenyl-1-oxo-2-butenyl1-yl amino benzoicacid
IUPAC Name 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid
InChI Key PGFQXGLPJUCTOI-WYMLVPIESA-N
Molecular Formula C21H17NO3
14

endo-IWR 1, Tocris Bioscience™

CAS: 1127442-82-3 Molecular Formula: C25H19N3O3 Molecular Weight (g/mol): 409.445 InChI Key: ZGSXEXBYLJIOGF-HRQSHJORSA-N Synonym: iwr-1-endo,iwr-1 PubChem CID: 91885421 SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6

PubChem CID 91885421
CAS 1127442-82-3
Molecular Weight (g/mol) 409.445
SMILES C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
Synonym iwr-1-endo,iwr-1
InChI Key ZGSXEXBYLJIOGF-HRQSHJORSA-N
Molecular Formula C25H19N3O3
15

BMS 961, Tocris Bioscience™

CAS: 185629-22-5 Molecular Formula: C23H26FNO4 Molecular Weight (g/mol): 399.462 InChI Key: AANFHDFOMFRLLR-IBGZPJMESA-N Synonym: 3-fluoro-4-2-hydroxy-2-5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl-acetylamino-benzoic acid,3-fluoro-4-2s-2-hydroxy-2-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl acetamido benzoic acid,3-fluoro-4-2s-2-hydroxy-2-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl acetyl amino benzoic acid,s-3-fluoro-4-2-hydroxy-2-5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl-acetylamino-benzoic acid PubChem CID: 445460 IUPAC Name: 3-fluoro-4-[[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid SMILES: CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)C

PubChem CID 445460
CAS 185629-22-5
Molecular Weight (g/mol) 399.462
SMILES CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)C
Synonym 3-fluoro-4-2-hydroxy-2-5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl-acetylamino-benzoic acid,3-fluoro-4-2s-2-hydroxy-2-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl acetamido benzoic acid,3-fluoro-4-2s-2-hydroxy-2-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl acetyl amino benzoic acid,s-3-fluoro-4-2-hydroxy-2-5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl-acetylamino-benzoic acid
IUPAC Name 3-fluoro-4-[[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
InChI Key AANFHDFOMFRLLR-IBGZPJMESA-N
Molecular Formula C23H26FNO4