2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide

C18H19F3N2O2 — CID 30749964

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-2-13(14-7-4-3-5-8-14)11-22-16(24)12-23-10-6-9-15(17(23)25)18(19,20)21/h3-10,13H,2,11-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyYALKAPXNYCRJKL-ZDUSSCGKSA-N
MW352.36 g/mol
LogP3.18
Rot. Bonds6

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide (PubChem CID 30749964) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
PubChem CID30749964
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-2-13(14-7-4-3-5-8-14)11-22-16(24)12-23-10-6-9-15(17(23)25)18(19,20)21/h3-10,13H,2,11-12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyYALKAPXNYCRJKL-ZDUSSCGKSA-N
XLogP3.18
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55950499
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111441452
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110889033
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37397619
N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
CID 55693879
tert-butyl N-methyl-N-[2-methyl-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propyl]carbamate
CID 86934605
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
CID 51190392
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide (CID 30749964) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide is CC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide?
The InChIKey is YALKAPXNYCRJKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-13(14-7-4-3-5-8-14)11-22-16(24)12-23-10-6-9-15(17(23)25)18(19,20)21/h3-10,13H,2,11-12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide is sourced from PubChem (CID 30749964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).