2-[2-(benzamidocarbamoyl)phenyl]benzoic acid

C21H16N2O4 — CID 1088404

IUPAC2-[2-(benzamidocarbamoyl)phenyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-23-20(25)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyCQPDUAQRWBGUAS-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid

2-[2-(benzamidocarbamoyl)phenyl]benzoic acid (PubChem CID 1088404) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(benzamidocarbamoyl)phenyl]benzoic acid
PubChem CID1088404
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-[2-(benzamidocarbamoyl)phenyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-23-20(25)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyCQPDUAQRWBGUAS-UHFFFAOYSA-N
XLogP3.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid (CID 1088404) is 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid is O=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid?
The InChIKey is CQPDUAQRWBGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-23-20(25)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid?
2-[2-(benzamidocarbamoyl)phenyl]benzoic acid has a molecular weight of 360.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzamidocarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 1088404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).