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

C13H7F4NO2 — CID 63183808

IUPAC4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-7-1-2-11(8(15)5-7)18-12-9(16)3-6(13(19)20)4-10(12)17/h1-5,18H,(H,19,20)
InChIKeyLDUUTVSUTIUCQJ-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.68
Rot. Bonds3

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

4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid (PubChem CID 63183808) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
PubChem CID63183808
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-7-1-2-11(8(15)5-7)18-12-9(16)3-6(13(19)20)4-10(12)17/h1-5,18H,(H,19,20)
InChIKeyLDUUTVSUTIUCQJ-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzoic acid
CID 63537645
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
3,5-difluoro-4-(2,4,5-trichloroanilino)benzoic acid
CID 63526952
4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid
CID 106760102
4-(2-bromo-5-methylanilino)-3,5-difluorobenzoic acid
CID 82757080
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
2-amino-3-fluoro-6-(2,4,6-trifluoroanilino)benzoic acid
CID 83207097
4-bromo-2-(2,4-difluoroanilino)benzoic acid
CID 139804641
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid?
The IUPAC name of 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid (CID 63183808) is 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid?
The canonical SMILES for 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid is O=C(O)c1cc(F)c(Nc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid?
The InChIKey is LDUUTVSUTIUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-7-1-2-11(8(15)5-7)18-12-9(16)3-6(13(19)20)4-10(12)17/h1-5,18H,(H,19,20).
What are the key properties of 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid?
4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid has a molecular weight of 285.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid is sourced from PubChem (CID 63183808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).