N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H15ClN2O3 — CID 78982076

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H15ClN2O3/c1-7-3-10(11(19-2)5-9(7)14)16-13(18)8-4-12(17)15-6-8/h3,5,8H,4,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySFODMXLGRVBDPL-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.73
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982076) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982076
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H15ClN2O3/c1-7-3-10(11(19-2)5-9(7)14)16-13(18)8-4-12(17)15-6-8/h3,5,8H,4,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySFODMXLGRVBDPL-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696884
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186284
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55883534
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183595
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78982076) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SFODMXLGRVBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-3-10(11(19-2)5-9(7)14)16-13(18)8-4-12(17)15-6-8/h3,5,8H,4,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).