2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid

C15H13F2NO2 — CID 60994028

IUPAC2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c1-15(14(19)20,10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,18H,1H3,(H,19,20)
InChIKeyGACAPHRQONYXBB-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid

2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid (PubChem CID 60994028) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
PubChem CID60994028
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c1-15(14(19)20,10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,18H,1H3,(H,19,20)
InChIKeyGACAPHRQONYXBB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
CID 60990853
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid (CID 60994028) is 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid is CC(Nc1cccc(F)c1)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is GACAPHRQONYXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-15(14(19)20,10-5-7-11(16)8-6-10)18-13-4-2-3-12(17)9-13/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid?
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 277.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 60994028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).