N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C13H15ClN2O4 — CID 78982206

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CNC(=O)C2)cc1OC
InChIInChI=1S/C13H15ClN2O4/c1-19-10-4-8(14)9(5-11(10)20-2)16-13(18)7-3-12(17)15-6-7/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZHHUBUWXNLCFNE-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.43
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982206) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982206
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CNC(=O)C2)cc1OC
InChIInChI=1S/C13H15ClN2O4/c1-19-10-4-8(14)9(5-11(10)20-2)16-13(18)7-3-12(17)15-6-7/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZHHUBUWXNLCFNE-UHFFFAOYSA-N
XLogP1.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 16602989
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 95279970

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78982206) is N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(Cl)c(NC(=O)C2CNC(=O)C2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHHUBUWXNLCFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-19-10-4-8(14)9(5-11(10)20-2)16-13(18)7-3-12(17)15-6-7/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).