2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid

C15H12FNO3 — CID 63209935

IUPAC2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F
InChIInChI=1S/C15H12FNO3/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyPQZUNEUNTZUNOI-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.08
Rot. Bonds3

About 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid

2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid (PubChem CID 63209935) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
PubChem CID63209935
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F
InChIInChI=1S/C15H12FNO3/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyPQZUNEUNTZUNOI-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

2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid (CID 63209935) is 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is PQZUNEUNTZUNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
2-[(4-fluoro-3-methylbenzoyl)amino]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 2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63209935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).