N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H14ClF3N2O2 — CID 42630197

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O
InChIInChI=1S/C14H14ClF3N2O2/c1-20-7-9(5-11(20)21)13(22)19-6-8-3-2-4-10(12(8)15)14(16,17)18/h2-4,9H,5-7H2,1H3,(H,19,22)
InChIKeyNWFUSRPKBFAGEK-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.45
Rot. Bonds3

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42630197) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42630197
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O
InChIInChI=1S/C14H14ClF3N2O2/c1-20-7-9(5-11(20)21)13(22)19-6-8-3-2-4-10(12(8)15)14(16,17)18/h2-4,9H,5-7H2,1H3,(H,19,22)
InChIKeyNWFUSRPKBFAGEK-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49865008
(3S)-N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899007
(3S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899084
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4882509
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 52940698
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4,4-trimethyl-5-oxopyrrolidine-2-carboxamide
CID 52943108
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52944504
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2-(18F)fluoroethyl)-5-oxopyrrolidine-2-carboxamide
CID 162536141

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 42630197) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NWFUSRPKBFAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-20-7-9(5-11(20)21)13(22)19-6-8-3-2-4-10(12(8)15)14(16,17)18/h2-4,9H,5-7H2,1H3,(H,19,22).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42630197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).