2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide

C13H15ClN2O2 — CID 168687576

IUPAC2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1N1CC(Cl)CC1=O
InChIInChI=1S/C13H15ClN2O2/c1-15(2)13(18)10-5-3-4-6-11(10)16-8-9(14)7-12(16)17/h3-6,9H,7-8H2,1-2H3
InChIKeyGUBYSCVJHRSAFH-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide

2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide (PubChem CID 168687576) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
PubChem CID168687576
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1N1CC(Cl)CC1=O
InChIInChI=1S/C13H15ClN2O2/c1-15(2)13(18)10-5-3-4-6-11(10)16-8-9(14)7-12(16)17/h3-6,9H,7-8H2,1-2H3
InChIKeyGUBYSCVJHRSAFH-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
4-chloro-1-(2-propan-2-ylsulfanylphenyl)pyrrolidin-2-one
CID 168687317
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168687699
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674511
[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672902

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide (CID 168687576) is 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1N1CC(Cl)CC1=O.
What is the InChIKey of 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is GUBYSCVJHRSAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-15(2)13(18)10-5-3-4-6-11(10)16-8-9(14)7-12(16)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 266.73 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 168687576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).