(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide

C17H17F2NO — CID 2547216

IUPAC(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-6-14(12-7-4-3-5-8-12)17(21)20-16-10-9-13(18)11-15(16)19/h3-5,7-11,14H,2,6H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyUANRBFVIVKHZEW-AWEZNQCLSA-N
MW289.33 g/mol
LogP4.49
Rot. Bonds5

About (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide

(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide (PubChem CID 2547216) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
PubChem CID2547216
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-6-14(12-7-4-3-5-8-12)17(21)20-16-10-9-13(18)11-15(16)19/h3-5,7-11,14H,2,6H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyUANRBFVIVKHZEW-AWEZNQCLSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide (CID 2547216) is (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide is CCC[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide?
The InChIKey is UANRBFVIVKHZEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-6-14(12-7-4-3-5-8-12)17(21)20-16-10-9-13(18)11-15(16)19/h3-5,7-11,14H,2,6H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide?
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide has a molecular weight of 289.33 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide is sourced from PubChem (CID 2547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).