2-[4-(3,5-difluoroanilino)phenyl]acetic acid

C14H11F2NO2 — CID 82535938

IUPAC2-[4-(3,5-difluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H11F2NO2/c15-10-6-11(16)8-13(7-10)17-12-3-1-9(2-4-12)5-14(18)19/h1-4,6-8,17H,5H2,(H,18,19)
InChIKeyAIPQHMZZAMSUAL-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-(3,5-difluoroanilino)phenyl]acetic acid

2-[4-(3,5-difluoroanilino)phenyl]acetic acid (PubChem CID 82535938) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[4-(3,5-difluoroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-difluoroanilino)phenyl]acetic acid
PubChem CID82535938
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-[4-(3,5-difluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H11F2NO2/c15-10-6-11(16)8-13(7-10)17-12-3-1-9(2-4-12)5-14(18)19/h1-4,6-8,17H,5H2,(H,18,19)
InChIKeyAIPQHMZZAMSUAL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3,5-difluoroanilino)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoroanilino)phenyl]acetic acid?
The IUPAC name of 2-[4-(3,5-difluoroanilino)phenyl]acetic acid (CID 82535938) is 2-[4-(3,5-difluoroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-difluoroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3,5-difluoroanilino)phenyl]acetic acid is O=C(O)Cc1ccc(Nc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[4-(3,5-difluoroanilino)phenyl]acetic acid?
The InChIKey is AIPQHMZZAMSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-6-11(16)8-13(7-10)17-12-3-1-9(2-4-12)5-14(18)19/h1-4,6-8,17H,5H2,(H,18,19).
What are the key properties of 2-[4-(3,5-difluoroanilino)phenyl]acetic acid?
2-[4-(3,5-difluoroanilino)phenyl]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoroanilino)phenyl]acetic acid is sourced from PubChem (CID 82535938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).