1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O4 — CID 50838032

IUPAC1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1Cl
InChIInChI=1S/C20H20ClN3O4/c1-12(25)22-14-4-3-5-16(9-14)24-11-13(8-19(24)26)20(27)23-15-6-7-18(28-2)17(21)10-15/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyCDHIBPUINQZQJH-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50838032) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50838032
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1Cl
InChIInChI=1S/C20H20ClN3O4/c1-12(25)22-14-4-3-5-16(9-14)24-11-13(8-19(24)26)20(27)23-15-6-7-18(28-2)17(21)10-15/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyCDHIBPUINQZQJH-UHFFFAOYSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 50838032) is 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1Cl.
What is the InChIKey of 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CDHIBPUINQZQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-12(25)22-14-4-3-5-16(9-14)24-11-13(8-19(24)26)20(27)23-15-6-7-18(28-2)17(21)10-15/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50838032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).