N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C12H13ClN2O2 — CID 78981486

IUPACN-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(Cl)cc2)CN1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-1-8(2-4-10)6-15-12(17)9-5-11(16)14-7-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17)
InChIKeyPLRDCECDPGSPAL-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.09
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981486) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981486
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(Cl)cc2)CN1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-1-8(2-4-10)6-15-12(17)9-5-11(16)14-7-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17)
InChIKeyPLRDCECDPGSPAL-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)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

5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 78981486) is N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCc2ccc(Cl)cc2)CN1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PLRDCECDPGSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-3-1-8(2-4-10)6-15-12(17)9-5-11(16)14-7-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).