(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide

C16H15F2NO — CID 7369071

IUPAC(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-2-15(11-6-4-3-5-7-11)16(20)19-14-9-12(17)8-13(18)10-14/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAPHFYNASZLTMLT-HNNXBMFYSA-N
MW275.30 g/mol
LogP4.10
Rot. Bonds4

About (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide

(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide (PubChem CID 7369071) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
PubChem CID7369071
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-2-15(11-6-4-3-5-7-11)16(20)19-14-9-12(17)8-13(18)10-14/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAPHFYNASZLTMLT-HNNXBMFYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide?
The IUPAC name of (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide (CID 7369071) is (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide?
The canonical SMILES for (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide is CC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide?
The InChIKey is APHFYNASZLTMLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-2-15(11-6-4-3-5-7-11)16(20)19-14-9-12(17)8-13(18)10-14/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide?
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide has a molecular weight of 275.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide is sourced from PubChem (CID 7369071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).