4-(2,5-difluoroanilino)-3-methylbenzoic acid

C14H11F2NO2 — CID 63212505

IUPAC4-(2,5-difluoroanilino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Nc1cc(F)ccc1F
InChIInChI=1S/C14H11F2NO2/c1-8-6-9(14(18)19)2-5-12(8)17-13-7-10(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyKVYOQMPRKRYDCL-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.72
Rot. Bonds3

About 4-(2,5-difluoroanilino)-3-methylbenzoic acid

4-(2,5-difluoroanilino)-3-methylbenzoic acid (PubChem CID 63212505) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)-3-methylbenzoic acid
PubChem CID63212505
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name4-(2,5-difluoroanilino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Nc1cc(F)ccc1F
InChIInChI=1S/C14H11F2NO2/c1-8-6-9(14(18)19)2-5-12(8)17-13-7-10(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyKVYOQMPRKRYDCL-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-difluoroanilino)-3-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

4-(2-cyano-4-fluoroanilino)-3-methylbenzoic acid
CID 82015745
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
3-(5-chloro-2-methylanilino)-4-fluorobenzoic acid
CID 82536296
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
4-(2,5-difluoroanilino)-3-methylbenzonitrile
CID 54934561
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)-3-methylbenzoic acid?
The IUPAC name of 4-(2,5-difluoroanilino)-3-methylbenzoic acid (CID 63212505) is 4-(2,5-difluoroanilino)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2,5-difluoroanilino)-3-methylbenzoic acid?
The canonical SMILES for 4-(2,5-difluoroanilino)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluoroanilino)-3-methylbenzoic acid?
The InChIKey is KVYOQMPRKRYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-8-6-9(14(18)19)2-5-12(8)17-13-7-10(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 4-(2,5-difluoroanilino)-3-methylbenzoic acid?
4-(2,5-difluoroanilino)-3-methylbenzoic acid has a molecular weight of 263.24 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoroanilino)-3-methylbenzoic acid is sourced from PubChem (CID 63212505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).