2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid

C21H16N2O4 — CID 1008649

IUPAC2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H16N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyMVNHOZLXKLOTDT-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.89
Rot. Bonds5

About 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid

2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 1008649) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID1008649
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H16N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyMVNHOZLXKLOTDT-UHFFFAOYSA-N
XLogP3.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 1008649) is 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid is O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is MVNHOZLXKLOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 360.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1008649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).