2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid

C21H17NO3 — CID 70637125

IUPAC2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1-c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO3/c1-14-6-2-3-7-17(14)15-10-12-16(13-11-15)22-20(23)18-8-4-5-9-19(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyOCINBQGTUQDAKW-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.61
Rot. Bonds4

About 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid

2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid (PubChem CID 70637125) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
PubChem CID70637125
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccccc1-c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO3/c1-14-6-2-3-7-17(14)15-10-12-16(13-11-15)22-20(23)18-8-4-5-9-19(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyOCINBQGTUQDAKW-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-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667
tert-butyl N-[4-[(2-phenylbenzoyl)amino]phenyl]carbamate;2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 70132915
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 70340712

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid (CID 70637125) is 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid is Cc1ccccc1-c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is OCINBQGTUQDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-6-2-3-7-17(14)15-10-12-16(13-11-15)22-20(23)18-8-4-5-9-19(18)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(2-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 2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 70637125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).