N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C17H20ClF3N2O2 — CID 113190814

IUPACN-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20ClF3N2O2/c1-3-4-7-22(2)16(25)11-8-15(24)23(10-11)12-5-6-14(18)13(9-12)17(19,20)21/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyRAXKSDLVQZEWCB-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.97
Rot. Bonds5

About N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190814) has the molecular formula C17H20ClF3N2O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113190814
Molecular FormulaC17H20ClF3N2O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC NameN-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H20ClF3N2O2/c1-3-4-7-22(2)16(25)11-8-15(24)23(10-11)12-5-6-14(18)13(9-12)17(19,20)21/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyRAXKSDLVQZEWCB-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113190810
N-butyl-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191157
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113189096
N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113187919
1-[3-chloro-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692129
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 126243563
(3R)-1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 31888932
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 113190814) is N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCN(C)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RAXKSDLVQZEWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N2O2/c1-3-4-7-22(2)16(25)11-8-15(24)23(10-11)12-5-6-14(18)13(9-12)17(19,20)21/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).