3-fluoro-2-(2-phenylethylamino)benzoic acid

C15H14FNO2 — CID 62650969

IUPAC3-fluoro-2-(2-phenylethylamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NCCc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-13-8-4-7-12(15(18)19)14(13)17-10-9-11-5-2-1-3-6-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJUPRPQUGEFTZDY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.18
Rot. Bonds5

About 3-fluoro-2-(2-phenylethylamino)benzoic acid

3-fluoro-2-(2-phenylethylamino)benzoic acid (PubChem CID 62650969) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-2-(2-phenylethylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-phenylethylamino)benzoic acid
PubChem CID62650969
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-2-(2-phenylethylamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NCCc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-13-8-4-7-12(15(18)19)14(13)17-10-9-11-5-2-1-3-6-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJUPRPQUGEFTZDY-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
2-[2-(2,4-dichlorophenyl)ethylamino]-3-fluorobenzoic acid
CID 63537644
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
3-fluoro-2-(2-prop-2-ynylsulfanylethylamino)benzoic acid
CID 106429473
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-phenylethylamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-phenylethylamino)benzoic acid (CID 62650969) is 3-fluoro-2-(2-phenylethylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-phenylethylamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-phenylethylamino)benzoic acid is O=C(O)c1cccc(F)c1NCCc1ccccc1.
What is the InChIKey of 3-fluoro-2-(2-phenylethylamino)benzoic acid?
The InChIKey is JUPRPQUGEFTZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-8-4-7-12(15(18)19)14(13)17-10-9-11-5-2-1-3-6-11/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of 3-fluoro-2-(2-phenylethylamino)benzoic acid?
3-fluoro-2-(2-phenylethylamino)benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-phenylethylamino)benzoic acid is sourced from PubChem (CID 62650969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).