2-(4-fluoroanilino)-3-phenylbutanoic acid

C16H16FNO2 — CID 61305744

IUPAC2-(4-fluoroanilino)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)15(16(19)20)18-14-9-7-13(17)8-10-14/h2-11,15,18H,1H3,(H,19,20)
InChIKeyXAZJMARIKALTAC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-fluoroanilino)-3-phenylbutanoic acid

2-(4-fluoroanilino)-3-phenylbutanoic acid (PubChem CID 61305744) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-phenylbutanoic acid
PubChem CID61305744
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(4-fluoroanilino)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)15(16(19)20)18-14-9-7-13(17)8-10-14/h2-11,15,18H,1H3,(H,19,20)
InChIKeyXAZJMARIKALTAC-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-(4-fluoroanilino)pentanoic acid
CID 61317713
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
2-(4-fluoroanilino)-4-methoxy-3-methylbutanoic acid
CID 116502018
2-acetamido-3-phenylbutanoic acid
CID 14036079
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
CID 79298499
(2S)-4-(4-fluoroanilino)-4-oxo-2-[(1R)-1-phenylethyl]butanoate
CID 6919422

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-phenylbutanoic acid?
The IUPAC name of 2-(4-fluoroanilino)-3-phenylbutanoic acid (CID 61305744) is 2-(4-fluoroanilino)-3-phenylbutanoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-3-phenylbutanoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-3-phenylbutanoic acid is CC(c1ccccc1)C(Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(4-fluoroanilino)-3-phenylbutanoic acid?
The InChIKey is XAZJMARIKALTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-5-3-2-4-6-12)15(16(19)20)18-14-9-7-13(17)8-10-14/h2-11,15,18H,1H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-3-phenylbutanoic acid?
2-(4-fluoroanilino)-3-phenylbutanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-3-phenylbutanoic acid is sourced from PubChem (CID 61305744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).