(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide

C17H17F3N2O — CID 141140195

IUPAC(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](C(=O)NCc1cncc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H17F3N2O/c1-2-15(13-6-4-3-5-7-13)16(23)22-10-12-8-14(11-21-9-12)17(18,19)20/h3-9,11,15H,2,10H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyXOXCHOMKEHXUAZ-HNNXBMFYSA-N
MW322.33 g/mol
LogP3.91
Rot. Bonds5

About (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide

(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide (PubChem CID 141140195) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
PubChem CID141140195
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
SMILESCC[C@H](C(=O)NCc1cncc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H17F3N2O/c1-2-15(13-6-4-3-5-7-13)16(23)22-10-12-8-14(11-21-9-12)17(18,19)20/h3-9,11,15H,2,10H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyXOXCHOMKEHXUAZ-HNNXBMFYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
CID 143659050
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
CID 143689186
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
5-[[2-[3-(trifluoromethyl)phenyl]butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110430
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119628819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide (CID 141140195) is (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide is CC[C@H](C(=O)NCc1cncc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide?
The InChIKey is XOXCHOMKEHXUAZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-2-15(13-6-4-3-5-7-13)16(23)22-10-12-8-14(11-21-9-12)17(18,19)20/h3-9,11,15H,2,10H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide?
(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide has a molecular weight of 322.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 141140195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).