2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid

C15H12F3NO2 — CID 79834697

IUPAC2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(F)c1F)c1ccccc1F
InChIInChI=1S/C15H12F3NO2/c1-8(9-4-2-3-5-11(9)16)19-12-7-6-10(15(20)21)13(17)14(12)18/h2-8,19H,1H3,(H,20,21)
InChIKeyBZFQHEKSROPQQF-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.98
Rot. Bonds4

About 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid

2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid (PubChem CID 79834697) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
PubChem CID79834697
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(F)c1F)c1ccccc1F
InChIInChI=1S/C15H12F3NO2/c1-8(9-4-2-3-5-11(9)16)19-12-7-6-10(15(20)21)13(17)14(12)18/h2-8,19H,1H3,(H,20,21)
InChIKeyBZFQHEKSROPQQF-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
3-fluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 62710157
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2,3-difluoro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 79838073
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2,3-difluoro-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83187633
methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
CID 43680646
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The IUPAC name of 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid (CID 79834697) is 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid is CC(Nc1ccc(C(=O)O)c(F)c1F)c1ccccc1F.
What is the InChIKey of 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The InChIKey is BZFQHEKSROPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-8(9-4-2-3-5-11(9)16)19-12-7-6-10(15(20)21)13(17)14(12)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid?
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid has a molecular weight of 295.26 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 79834697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).