3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid

C15H12FNO3 — CID 43452888

IUPAC3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(F)ccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H12FNO3/c1-9-7-12(16)5-6-13(9)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyTZLXTGHVDVYCQM-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.08
Rot. Bonds3

About 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid

3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid (PubChem CID 43452888) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
PubChem CID43452888
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(F)ccc1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H12FNO3/c1-9-7-12(16)5-6-13(9)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyTZLXTGHVDVYCQM-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluoro-2-methylphenyl)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

N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid (CID 43452888) is 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid is Cc1cc(F)ccc1NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is TZLXTGHVDVYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-9-7-12(16)5-6-13(9)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid?
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).