N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C14H17ClN2O2 — CID 78981469

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H17ClN2O2/c1-9(10-4-3-5-12(15)6-10)17(2)14(19)11-7-13(18)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,18)
InChIKeyOCJGKCWMMDIPFS-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.00
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981469) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78981469
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H17ClN2O2/c1-9(10-4-3-5-12(15)6-10)17(2)14(19)11-7-13(18)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,18)
InChIKeyOCJGKCWMMDIPFS-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)ethyl]-N-methyl-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

N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716502
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 75199924
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46591771
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide
CID 63181496
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide
CID 155958747

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 78981469) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OCJGKCWMMDIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(10-4-3-5-12(15)6-10)17(2)14(19)11-7-13(18)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).