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

C13H15ClN2O2 — CID 78982133

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H15ClN2O2/c1-16(8-9-3-2-4-11(14)5-9)13(18)10-6-12(17)15-7-10/h2-5,10H,6-8H2,1H3,(H,15,17)
InChIKeyBWFDYAFJWTZCHI-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.43
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982133) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78982133
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H15ClN2O2/c1-16(8-9-3-2-4-11(14)5-9)13(18)10-6-12(17)15-7-10/h2-5,10H,6-8H2,1H3,(H,15,17)
InChIKeyBWFDYAFJWTZCHI-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982035
N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78981469
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982581
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
acetic acid;(1S,3R,4R)-3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 155971944
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 78982133) is N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWFDYAFJWTZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-16(8-9-3-2-4-11(14)5-9)13(18)10-6-12(17)15-7-10/h2-5,10H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).