3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid

C16H14FNO3 — CID 62514248

IUPAC3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-6-13(17)12(7-9)15(19)18-14-8-11(16(20)21)5-4-10(14)2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeySFFZGOGIJWRITL-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

About 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid

3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid (PubChem CID 62514248) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
PubChem CID62514248
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C16H14FNO3/c1-9-3-6-13(17)12(7-9)15(19)18-14-8-11(16(20)21)5-4-10(14)2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeySFFZGOGIJWRITL-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic 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-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid (CID 62514248) is 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid is Cc1ccc(F)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid?
The InChIKey is SFFZGOGIJWRITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-3-6-13(17)12(7-9)15(19)18-14-8-11(16(20)21)5-4-10(14)2/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid?
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid has a molecular weight of 287.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 62514248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).