1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one

C22H24F3NO — CID 58348248

IUPAC1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(C)Cc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C22H24F3NO/c1-15-6-8-17(9-7-15)13-26-14-19(12-21(26)27)16(2)10-18-4-3-5-20(11-18)22(23,24)25/h3-9,11,16,19H,10,12-14H2,1-2H3
InChIKeyJFWLLOMQTAEYKY-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.24
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one

1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one (PubChem CID 58348248) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one
PubChem CID58348248
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(C)Cc3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C22H24F3NO/c1-15-6-8-17(9-7-15)13-26-14-19(12-21(26)27)16(2)10-18-4-3-5-20(11-18)22(23,24)25/h3-9,11,16,19H,10,12-14H2,1-2H3
InChIKeyJFWLLOMQTAEYKY-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673811
2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 167217915
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55758677
2-[cyclopropyl-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119202992
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
N-(2,3-dimethylphenyl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55918108

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one (CID 58348248) is 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one is Cc1ccc(CN2CC(C(C)Cc3cccc(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one?
The InChIKey is JFWLLOMQTAEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO/c1-15-6-8-17(9-7-15)13-26-14-19(12-21(26)27)16(2)10-18-4-3-5-20(11-18)22(23,24)25/h3-9,11,16,19H,10,12-14H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one?
1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 58348248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).