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

C20H14F2N2O4 — CID 10385313

IUPAC2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(F)c(F)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C20H14F2N2O4/c21-13-9-17(23-15-7-3-1-5-11(15)19(25)26)18(10-14(13)22)24-16-8-4-2-6-12(16)20(27)28/h1-10,23-24H,(H,25,26)(H,27,28)
InChIKeyFMLYOUYLGGEAKI-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.85
Rot. Bonds6

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

2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid (PubChem CID 10385313) has the molecular formula C20H14F2N2O4 and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
PubChem CID10385313
Molecular FormulaC20H14F2N2O4
Molecular Weight384.34 g/mol
Exact Mass384.09
IUPAC Name2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(F)c(F)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C20H14F2N2O4/c21-13-9-17(23-15-7-3-1-5-11(15)19(25)26)18(10-14(13)22)24-16-8-4-2-6-12(16)20(27)28/h1-10,23-24H,(H,25,26)(H,27,28)
InChIKeyFMLYOUYLGGEAKI-UHFFFAOYSA-N
XLogP4.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-(2,5-difluoro-4-methylanilino)benzoic acid
CID 103586340
2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid?
The IUPAC name of 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid (CID 10385313) is 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid.
What is the SMILES notation for 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid?
The canonical SMILES for 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid is O=C(O)c1ccccc1Nc1cc(F)c(F)cc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid?
The InChIKey is FMLYOUYLGGEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O4/c21-13-9-17(23-15-7-3-1-5-11(15)19(25)26)18(10-14(13)22)24-16-8-4-2-6-12(16)20(27)28/h1-10,23-24H,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid?
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid has a molecular weight of 384.34 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid is sourced from PubChem (CID 10385313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).