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

C20H17ClF3NO2 — CID 4874095

IUPAC5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1(C(=O)c2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17ClF3NO2/c1-19(18(27)14-4-8-16(21)9-5-14)11-10-17(26)25(19)12-13-2-6-15(7-3-13)20(22,23)24/h2-9H,10-12H2,1H3
InChIKeyODFWYVONRXBQJI-UHFFFAOYSA-N
MW395.81 g/mol
LogP5.12
Rot. Bonds4

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

5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 4874095) has the molecular formula C20H17ClF3NO2 and a molecular weight of 395.81 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID4874095
Molecular FormulaC20H17ClF3NO2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1(C(=O)c2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17ClF3NO2/c1-19(18(27)14-4-8-16(21)9-5-14)11-10-17(26)25(19)12-13-2-6-15(7-3-13)20(22,23)24/h2-9H,10-12H2,1H3
InChIKeyODFWYVONRXBQJI-UHFFFAOYSA-N
XLogP5.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 167969291
methyl 7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146465442
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
N-ethyl-7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 146465050
1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183765
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
[4-(trifluoromethyl)phenyl] 2-[(4-chlorophenyl)methylcarbamoyl]-2-methylazetidine-1-carboxylate
CID 141338173
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 4874095) is 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is CC1(C(=O)c2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is ODFWYVONRXBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3NO2/c1-19(18(27)14-4-8-16(21)9-5-14)11-10-17(26)25(19)12-13-2-6-15(7-3-13)20(22,23)24/h2-9H,10-12H2,1H3.
What are the key properties of 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 395.81 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 4874095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).