N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 113186297

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCc3cccc(Cl)c3)CC2=O)c1C
InChIInChI=1S/C21H23ClN2O2/c1-14-5-3-8-19(15(14)2)24-13-17(12-20(24)25)21(26)23-10-9-16-6-4-7-18(22)11-16/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyLFKWBRIHEVNPCQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186297) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113186297
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCc3cccc(Cl)c3)CC2=O)c1C
InChIInChI=1S/C21H23ClN2O2/c1-14-5-3-8-19(15(14)2)24-13-17(12-20(24)25)21(26)23-10-9-16-6-4-7-18(22)11-16/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyLFKWBRIHEVNPCQ-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 52792137
N-[2-(3-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186056
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
N-[2-(3-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188186
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
N-[2-(3-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18190011
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
N-[2-(3-chlorophenyl)ethyl]-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183307
(3R)-N-(2,4-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1332768
(3R)-N-(5-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51532988

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113186297) is N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCCc3cccc(Cl)c3)CC2=O)c1C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LFKWBRIHEVNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-5-3-8-19(15(14)2)24-13-17(12-20(24)25)21(26)23-10-9-16-6-4-7-18(22)11-16/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).