2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide

C12H12Cl2N2O2 — CID 168687616

IUPAC2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CC(Cl)CC2=O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-15-12(18)9-3-2-8(5-10(9)14)16-6-7(13)4-11(16)17/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyCVLLVZHNTUSPEE-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide

2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide (PubChem CID 168687616) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
PubChem CID168687616
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CC(Cl)CC2=O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-15-12(18)9-3-2-8(5-10(9)14)16-6-7(13)4-11(16)17/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyCVLLVZHNTUSPEE-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N-methylbenzamide
CID 168503973
methyl 2-bromo-4-(4-chloro-2-oxopyrrolidin-1-yl)benzoate
CID 168687685
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
methyl 4-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-2-chlorobenzoate
CID 168705119
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168503717
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286
methyl 2-[4-(4-chloro-2-oxopyrrolidin-1-yl)-2-fluorophenyl]acetate
CID 168687640
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide?
The IUPAC name of 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide (CID 168687616) is 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide is CNC(=O)c1ccc(N2CC(Cl)CC2=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide?
The InChIKey is CVLLVZHNTUSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-15-12(18)9-3-2-8(5-10(9)14)16-6-7(13)4-11(16)17/h2-3,5,7H,4,6H2,1H3,(H,15,18).
What are the key properties of 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide?
2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide has a molecular weight of 287.15 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 168687616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).