1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 2815651

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)15-12-19(24)23(13-15)11-10-14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyLULMBYHRWYFZBH-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.38
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2815651) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2815651
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)15-12-19(24)23(13-15)11-10-14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyLULMBYHRWYFZBH-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2815651) is 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LULMBYHRWYFZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)15-12-19(24)23(13-15)11-10-14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2815651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).