N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

C13H15ClN2O2 — CID 110687350

IUPACN-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C13H15ClN2O2/c1-8-7-9(14)3-4-10(8)15-13(18)11-5-6-12(17)16(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)
InChIKeyQRMBELQJWUHKEL-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.21
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide

N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110687350) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110687350
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C13H15ClN2O2/c1-8-7-9(14)3-4-10(8)15-13(18)11-5-6-12(17)16(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)
InChIKeyQRMBELQJWUHKEL-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
tert-butyl 2-[(4-chloro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127525
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 132837563
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
(3S,7aS)-N-(4-chloro-2-methylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 8780231
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133040
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
1-methyl-N-(5-methyl-1H-indol-6-yl)-6-oxopiperidine-2-carboxamide
CID 146133051

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 110687350) is N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCC(=O)N1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QRMBELQJWUHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-7-9(14)3-4-10(8)15-13(18)11-5-6-12(17)16(11)2/h3-4,7,11H,5-6H2,1-2H3,(H,15,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).