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

C21H17NO3 — CID 777419

IUPAC2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyPBTZYSLIGDMBKI-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.61
Rot. Bonds4

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

2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 777419) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID777419
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyPBTZYSLIGDMBKI-UHFFFAOYSA-N
XLogP4.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
CID 171463767
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid (CID 777419) is 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid is Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is PBTZYSLIGDMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 777419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).