4-[(2,5-difluoroanilino)methyl]benzoic acid

C14H11F2NO2 — CID 55049553

IUPAC4-[(2,5-difluoroanilino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H11F2NO2/c15-11-5-6-12(16)13(7-11)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyINNFQSJFSJWBSA-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.28
Rot. Bonds4

About 4-[(2,5-difluoroanilino)methyl]benzoic acid

4-[(2,5-difluoroanilino)methyl]benzoic acid (PubChem CID 55049553) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-[(2,5-difluoroanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2,5-difluoroanilino)methyl]benzoic acid
PubChem CID55049553
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name4-[(2,5-difluoroanilino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H11F2NO2/c15-11-5-6-12(16)13(7-11)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyINNFQSJFSJWBSA-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2,5-difluoroanilino)methyl]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

4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-[(2-chloro-4-fluoroanilino)methyl]benzoic acid
CID 55049785
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
3-bromo-4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 103232826
3-[(4-cyclopropylphenyl)methylamino]-4-fluorobenzoic acid
CID 79969560
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
4-fluoro-3-[(5-fluoro-2-hydroxyphenyl)methylamino]benzoic acid
CID 107694345
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
4-(2,5-difluoroanilino)benzoic acid
CID 62231203

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluoroanilino)methyl]benzoic acid?
The IUPAC name of 4-[(2,5-difluoroanilino)methyl]benzoic acid (CID 55049553) is 4-[(2,5-difluoroanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(2,5-difluoroanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(2,5-difluoroanilino)methyl]benzoic acid is O=C(O)c1ccc(CNc2cc(F)ccc2F)cc1.
What is the InChIKey of 4-[(2,5-difluoroanilino)methyl]benzoic acid?
The InChIKey is INNFQSJFSJWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-5-6-12(16)13(7-11)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 4-[(2,5-difluoroanilino)methyl]benzoic acid?
4-[(2,5-difluoroanilino)methyl]benzoic acid has a molecular weight of 263.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluoroanilino)methyl]benzoic acid is sourced from PubChem (CID 55049553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).