4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C24H20F3NO — CID 177455156

IUPAC4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1(c2ccccc2)CC(=O)N(c2ccccc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3NO/c1-23(18-8-4-2-5-9-18)16-21(29)28(20-10-6-3-7-11-20)22(23)17-12-14-19(15-13-17)24(25,26)27/h2-15,22H,16H2,1H3
InChIKeyWBHWMLDPARZGIN-UHFFFAOYSA-N
MW395.42 g/mol
LogP6.14
Rot. Bonds3

About 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 177455156) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID177455156
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1(c2ccccc2)CC(=O)N(c2ccccc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3NO/c1-23(18-8-4-2-5-9-18)16-21(29)28(20-10-6-3-7-11-20)22(23)17-12-14-19(15-13-17)24(25,26)27/h2-15,22H,16H2,1H3
InChIKeyWBHWMLDPARZGIN-UHFFFAOYSA-N
XLogP6.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 132528343
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769472
(1R,5S,7S)-5-phenyl-7-[4-(trifluoromethyl)phenyl]-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 102277256
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(7R,11S)-3,3-dimethyl-7-phenyl-11-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,4-dioxaspiro[5.5]undecane-1,5,9-trione
CID 101430018
(4R)-3,3-difluoro-4-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 2314764
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
CID 67692307
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 177455156) is 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC1(c2ccccc2)CC(=O)N(c2ccccc2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is WBHWMLDPARZGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-23(18-8-4-2-5-9-18)16-21(29)28(20-10-6-3-7-11-20)22(23)17-12-14-19(15-13-17)24(25,26)27/h2-15,22H,16H2,1H3.
What are the key properties of 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 395.42 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 177455156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).