2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid

C21H15NO5 — CID 167346908

IUPAC2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H15NO5/c23-19(15-8-4-5-9-16(15)20(24)25)22-18-12-14(10-11-17(18)21(26)27)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyXZXAVMTYOBQHDK-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.00
Rot. Bonds5

About 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid

2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid (PubChem CID 167346908) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
PubChem CID167346908
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H15NO5/c23-19(15-8-4-5-9-16(15)20(24)25)22-18-12-14(10-11-17(18)21(26)27)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyXZXAVMTYOBQHDK-UHFFFAOYSA-N
XLogP4.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
CID 89038090
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid (CID 167346908) is 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid?
The InChIKey is XZXAVMTYOBQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c23-19(15-8-4-5-9-16(15)20(24)25)22-18-12-14(10-11-17(18)21(26)27)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid?
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid has a molecular weight of 361.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 167346908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).