2-[(4-carboxyphenyl)carbamoyl]benzoic acid

C15H11NO5 — CID 746560

IUPAC2-[(4-carboxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyDGZLMOPIPKVXCI-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.34
Rot. Bonds4

About 2-[(4-carboxyphenyl)carbamoyl]benzoic acid

2-[(4-carboxyphenyl)carbamoyl]benzoic acid (PubChem CID 746560) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[(4-carboxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-carboxyphenyl)carbamoyl]benzoic acid
PubChem CID746560
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name2-[(4-carboxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyDGZLMOPIPKVXCI-UHFFFAOYSA-N
XLogP2.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 71595353
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-carboxyphenyl)carbamoyl]benzoic acid (CID 746560) is 2-[(4-carboxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-carboxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-carboxyphenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carboxyphenyl)carbamoyl]benzoic acid?
The InChIKey is DGZLMOPIPKVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[(4-carboxyphenyl)carbamoyl]benzoic acid?
2-[(4-carboxyphenyl)carbamoyl]benzoic acid has a molecular weight of 285.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 746560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).