3-[(2-carbamoylbenzoyl)amino]benzoic acid

C15H12N2O4 — CID 4607393

IUPAC3-[(2-carbamoylbenzoyl)amino]benzoic acid
SMILESNC(=O)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H12N2O4/c16-13(18)11-6-1-2-7-12(11)14(19)17-10-5-3-4-9(8-10)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyQFCSGSGLGLVHQX-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.74
Rot. Bonds4

About 3-[(2-carbamoylbenzoyl)amino]benzoic acid

3-[(2-carbamoylbenzoyl)amino]benzoic acid (PubChem CID 4607393) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[(2-carbamoylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-carbamoylbenzoyl)amino]benzoic acid
PubChem CID4607393
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-[(2-carbamoylbenzoyl)amino]benzoic acid
SMILESNC(=O)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H12N2O4/c16-13(18)11-6-1-2-7-12(11)14(19)17-10-5-3-4-9(8-10)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyQFCSGSGLGLVHQX-UHFFFAOYSA-N
XLogP1.74
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid
CID 118900341
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
2-[(3-ethanimidoylphenyl)carbamoyl]benzoic acid
CID 118900222
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
N-[4-[(3-carbamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955740
2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid
CID 163959565

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(2-carbamoylbenzoyl)amino]benzoic acid (CID 4607393) is 3-[(2-carbamoylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-carbamoylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-carbamoylbenzoyl)amino]benzoic acid is NC(=O)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-carbamoylbenzoyl)amino]benzoic acid?
The InChIKey is QFCSGSGLGLVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c16-13(18)11-6-1-2-7-12(11)14(19)17-10-5-3-4-9(8-10)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[(2-carbamoylbenzoyl)amino]benzoic acid?
3-[(2-carbamoylbenzoyl)amino]benzoic acid has a molecular weight of 284.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 4607393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).