N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

C20H21ClN2O2 — CID 46048607

IUPACN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N(C)Cc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-8-9-16(12-18(14)21)23-11-10-17(20(23)25)19(24)22(2)13-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyUJAHOADSQCDJFX-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.66
Rot. Bonds4

About N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048607) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID46048607
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N(C)Cc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-8-9-16(12-18(14)21)23-11-10-17(20(23)25)19(24)22(2)13-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyUJAHOADSQCDJFX-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (CID 46048607) is N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)N(C)Cc3ccccc3)C2=O)cc1Cl.
What is the InChIKey of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is UJAHOADSQCDJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-8-9-16(12-18(14)21)23-11-10-17(20(23)25)19(24)22(2)13-15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).