5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid

C15H13F2NO2 — CID 63673161

IUPAC5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(F)cc1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H13F2NO2/c1-9(11-4-2-3-5-13(11)17)18-14-7-6-10(16)8-12(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyFPHIWUUMQXBSBN-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.84
Rot. Bonds4

About 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid

5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid (PubChem CID 63673161) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
PubChem CID63673161
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(F)cc1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H13F2NO2/c1-9(11-4-2-3-5-13(11)17)18-14-7-6-10(16)8-12(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyFPHIWUUMQXBSBN-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
3-fluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 62710157
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2-(benzhydrylamino)-5-fluorobenzoic acid
CID 71762912
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid (CID 63673161) is 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid is CC(Nc1ccc(F)cc1C(=O)O)c1ccccc1F.
What is the InChIKey of 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
The InChIKey is FPHIWUUMQXBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9(11-4-2-3-5-13(11)17)18-14-7-6-10(16)8-12(14)15(19)20/h2-9,18H,1H3,(H,19,20).
What are the key properties of 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid?
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid has a molecular weight of 277.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 63673161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).