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

C15H12FNO3 — CID 62812413

IUPAC3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(NC(=O)c2cccc(C(=O)O)c2)ccc1F
InChIInChI=1S/C15H12FNO3/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyMQVVNXNGSKAQSR-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.08
Rot. Bonds3

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

3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid (PubChem CID 62812413) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
PubChem CID62812413
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(NC(=O)c2cccc(C(=O)O)c2)ccc1F
InChIInChI=1S/C15H12FNO3/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyMQVVNXNGSKAQSR-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

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Related Compounds

3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
3-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249430
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid (CID 62812413) is 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid is Cc1cc(NC(=O)c2cccc(C(=O)O)c2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is MQVVNXNGSKAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-9-7-12(5-6-13(9)16)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-3-methylphenyl)carbamoyl]benzoic acid?
3-[(4-fluoro-3-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-3-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 62812413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).