4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C15H19F3N2O — CID 45168538

IUPAC4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC(C)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-10(2)19-12-7-14(21)20(9-12)8-11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,19H,7-9H2,1-2H3
InChIKeyIFENFGAFXRIMAP-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.80
Rot. Bonds4

About 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 45168538) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID45168538
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC(C)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-10(2)19-12-7-14(21)20(9-12)8-11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,19H,7-9H2,1-2H3
InChIKeyIFENFGAFXRIMAP-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nebracetam
CID 65926
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
2-{[(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646024
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24819950
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
(S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11323414
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 45168538) is 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is CC(C)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is IFENFGAFXRIMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)19-12-7-14(21)20(9-12)8-11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,19H,7-9H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 300.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45168538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).