2-(3,5-difluoroanilino)-5-fluorobenzoic acid

C13H8F3NO2 — CID 82535820

IUPAC2-(3,5-difluoroanilino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H8F3NO2/c14-7-1-2-12(11(6-7)13(18)19)17-10-4-8(15)3-9(16)5-10/h1-6,17H,(H,18,19)
InChIKeyITYAWUNUHHJVKY-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.55
Rot. Bonds3

About 2-(3,5-difluoroanilino)-5-fluorobenzoic acid

2-(3,5-difluoroanilino)-5-fluorobenzoic acid (PubChem CID 82535820) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-5-fluorobenzoic acid
PubChem CID82535820
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-(3,5-difluoroanilino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H8F3NO2/c14-7-1-2-12(11(6-7)13(18)19)17-10-4-8(15)3-9(16)5-10/h1-6,17H,(H,18,19)
InChIKeyITYAWUNUHHJVKY-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
5-fluoro-2-(quinolin-3-ylamino)benzoic acid
CID 82535805
4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
2-(but-2-ynoylamino)-5-fluorobenzoic acid
CID 107986445
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
5-fluoro-2-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61185797
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-5-fluorobenzoic acid?
The IUPAC name of 2-(3,5-difluoroanilino)-5-fluorobenzoic acid (CID 82535820) is 2-(3,5-difluoroanilino)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3,5-difluoroanilino)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3,5-difluoroanilino)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-5-fluorobenzoic acid?
The InChIKey is ITYAWUNUHHJVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-7-1-2-12(11(6-7)13(18)19)17-10-4-8(15)3-9(16)5-10/h1-6,17H,(H,18,19).
What are the key properties of 2-(3,5-difluoroanilino)-5-fluorobenzoic acid?
2-(3,5-difluoroanilino)-5-fluorobenzoic acid has a molecular weight of 267.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-5-fluorobenzoic acid is sourced from PubChem (CID 82535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).