(3S)-N-(4-fluorophenyl)-3-phenylbutanamide

C16H16FNO — CID 1122411

IUPAC(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(13-5-3-2-4-6-13)11-16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXIVWSKHDSZZPLG-LBPRGKRZSA-N
MW257.31 g/mol
LogP3.96
Rot. Bonds4

About (3S)-N-(4-fluorophenyl)-3-phenylbutanamide

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide (PubChem CID 1122411) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
PubChem CID1122411
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(13-5-3-2-4-6-13)11-16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXIVWSKHDSZZPLG-LBPRGKRZSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266159
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
(2S)-4-(4-fluoroanilino)-4-oxo-2-[(1R)-1-phenylethyl]butanoate
CID 6919422
(2R)-4-(4-fluoroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoate
CID 6919421
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-3-phenylbutanamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-3-phenylbutanamide (CID 1122411) is (3S)-N-(4-fluorophenyl)-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-3-phenylbutanamide is C[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-3-phenylbutanamide?
The InChIKey is XIVWSKHDSZZPLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(13-5-3-2-4-6-13)11-16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-3-phenylbutanamide?
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide has a molecular weight of 257.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-3-phenylbutanamide is sourced from PubChem (CID 1122411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).