N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H14Cl2N2O2 — CID 78981822

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-7(8-2-3-10(14)11(15)4-8)17-13(19)9-5-12(18)16-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyRSCGVGIWUOVZNM-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981822) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981822
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-7(8-2-3-10(14)11(15)4-8)17-13(19)9-5-12(18)16-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyRSCGVGIWUOVZNM-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dichlorophenyl)ethyl]-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

5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982251
N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899012

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 78981822) is N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RSCGVGIWUOVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-7(8-2-3-10(14)11(15)4-8)17-13(19)9-5-12(18)16-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).