N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C15H17F3N2O2 — CID 94118048

IUPACN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-10(21)19-13(9-20-7-3-6-14(20)22)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJPLMFQGTYROYJK-CYBMUJFWSA-N
MW314.31 g/mol
LogP2.51
Rot. Bonds4

About N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 94118048) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID94118048
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-10(21)19-13(9-20-7-3-6-14(20)22)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJPLMFQGTYROYJK-CYBMUJFWSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
1-(4-fluoro-3-methylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86888512
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069
(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 51948082
3-(furan-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51948079
2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86834039

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 94118048) is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is JPLMFQGTYROYJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(21)19-13(9-20-7-3-6-14(20)22)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 94118048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).