2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C12H13ClN2O2 — CID 175389640

IUPAC2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(N)=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-10(16)6-9(12(14)17)11(15)7-2-4-8(13)5-3-7/h2-5,9,11H,6H2,1H3,(H2,14,17)
InChIKeyAGRXYZJBWZODLE-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 175389640) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID175389640
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(N)=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-10(16)6-9(12(14)17)11(15)7-2-4-8(13)5-3-7/h2-5,9,11H,6H2,1H3,(H2,14,17)
InChIKeyAGRXYZJBWZODLE-UHFFFAOYSA-N
XLogP1.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 175389640) is 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C(=O)CC(C(N)=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGRXYZJBWZODLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-10(16)6-9(12(14)17)11(15)7-2-4-8(13)5-3-7/h2-5,9,11H,6H2,1H3,(H2,14,17).
What are the key properties of 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 175389640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).