4-(2,5-difluoroanilino)benzoic acid

C13H9F2NO2 — CID 62231203

IUPAC4-(2,5-difluoroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H9F2NO2/c14-9-3-6-11(15)12(7-9)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyYEADNGMVTGPBIP-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.41
Rot. Bonds3

About 4-(2,5-difluoroanilino)benzoic acid

4-(2,5-difluoroanilino)benzoic acid (PubChem CID 62231203) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)benzoic acid.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)benzoic acid
PubChem CID62231203
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name4-(2,5-difluoroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H9F2NO2/c14-9-3-6-11(15)12(7-9)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyYEADNGMVTGPBIP-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19153865
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505
4-(2-fluoroanilino)benzoic acid
CID 62231206
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
ethyl 4-(2,5-difluoroanilino)benzoate
CID 82535791
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
4-fluoro-3-[4-[(2-methylpropan-2-yl)oxy]anilino]benzoic acid
CID 110452955
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)benzoic acid?
The IUPAC name of 4-(2,5-difluoroanilino)benzoic acid (CID 62231203) is 4-(2,5-difluoroanilino)benzoic acid.
What is the SMILES notation for 4-(2,5-difluoroanilino)benzoic acid?
The canonical SMILES for 4-(2,5-difluoroanilino)benzoic acid is O=C(O)c1ccc(Nc2cc(F)ccc2F)cc1.
What is the InChIKey of 4-(2,5-difluoroanilino)benzoic acid?
The InChIKey is YEADNGMVTGPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-9-3-6-11(15)12(7-9)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 4-(2,5-difluoroanilino)benzoic acid?
4-(2,5-difluoroanilino)benzoic acid has a molecular weight of 249.22 g/mol, XLogP of 3.41, 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)benzoic acid is sourced from PubChem (CID 62231203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).