3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C19H18F3NO — CID 162410945

IUPAC3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1(C)CC(c2ccccc2)N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H18F3NO/c1-18(2)12-16(13-6-4-3-5-7-13)23(17(18)24)15-10-8-14(9-11-15)19(20,21)22/h3-11,16H,12H2,1-2H3
InChIKeyGECHFAGIPQZRRA-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.21
Rot. Bonds2

About 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 162410945) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID162410945
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1(C)CC(c2ccccc2)N(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H18F3NO/c1-18(2)12-16(13-6-4-3-5-7-13)23(17(18)24)15-10-8-14(9-11-15)19(20,21)22/h3-11,16H,12H2,1-2H3
InChIKeyGECHFAGIPQZRRA-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Diphenyl-3-propyl-2-azetidinone
CID 3533883
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
N-[(S)-1-(3-Amino-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide
CID 44392581
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
1-(4-Methylphenyl)-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3400758
3,3-Difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 5062275
1-(2,3-Dihydroindol-1-yl)-4-phenylbutan-1-one
CID 807668
3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-methyl-1,3-dihydro-indol-2-one
CID 5293755
1''-cyclooctylmethyl-1-methyl-5-trifluoromethylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982530
4-Ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18772493
N-[[4-(diethylamino)phenyl]methyl]-N-heptylcyclohexanecarboxamide
CID 71584048

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 162410945) is 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC1(C)CC(c2ccccc2)N(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is GECHFAGIPQZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-18(2)12-16(13-6-4-3-5-7-13)23(17(18)24)15-10-8-14(9-11-15)19(20,21)22/h3-11,16H,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 333.35 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 162410945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).