N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H25ClN2O2 — CID 113187919

IUPACN-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2c(C)cc(C)cc2Cl)C1
InChIInChI=1S/C18H25ClN2O2/c1-5-6-7-20(4)18(23)14-10-16(22)21(11-14)17-13(3)8-12(2)9-15(17)19/h8-9,14H,5-7,10-11H2,1-4H3
InChIKeyJXNXOTVUXNWGNZ-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.57
Rot. Bonds5

About N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187919) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113187919
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2c(C)cc(C)cc2Cl)C1
InChIInChI=1S/C18H25ClN2O2/c1-5-6-7-20(4)18(23)14-10-16(22)21(11-14)17-13(3)8-12(2)9-15(17)19/h8-9,14H,5-7,10-11H2,1-4H3
InChIKeyJXNXOTVUXNWGNZ-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-butyl-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191157
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186754
N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190814
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113189096
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187895
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
N-(4-tert-butylphenyl)-1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187945

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 113187919) is N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCN(C)C(=O)C1CC(=O)N(c2c(C)cc(C)cc2Cl)C1.
What is the InChIKey of N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JXNXOTVUXNWGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-5-6-7-20(4)18(23)14-10-16(22)21(11-14)17-13(3)8-12(2)9-15(17)19/h8-9,14H,5-7,10-11H2,1-4H3.
What are the key properties of N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).