3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid

C21H17NO3 — CID 143217956

IUPAC3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc(-c2cccc(NC(=O)c3cccc(C(=O)O)c3)c2)cc1
InChIInChI=1S/C21H17NO3/c1-14-8-10-15(11-9-14)16-4-3-7-19(13-16)22-20(23)17-5-2-6-18(12-17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyAHNKEFTYXKACGP-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.61
Rot. Bonds4

About 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid

3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid (PubChem CID 143217956) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
PubChem CID143217956
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc(-c2cccc(NC(=O)c3cccc(C(=O)O)c3)c2)cc1
InChIInChI=1S/C21H17NO3/c1-14-8-10-15(11-9-14)16-4-3-7-19(13-16)22-20(23)17-5-2-6-18(12-17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyAHNKEFTYXKACGP-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

Analyze 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167774425
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid
CID 1267744
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
3-[[3-[(4-methylphenyl)carbamoyl]phenyl]sulfinylamino]benzoic acid
CID 143631306
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid (CID 143217956) is 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid is Cc1ccc(-c2cccc(NC(=O)c3cccc(C(=O)O)c3)c2)cc1.
What is the InChIKey of 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is AHNKEFTYXKACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-8-10-15(11-9-14)16-4-3-7-19(13-16)22-20(23)17-5-2-6-18(12-17)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid?
3-[[3-(4-methylphenyl)phenyl]carbamoyl]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 3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 143217956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).