4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one

C18H16ClNO3 — CID 2843164

IUPAC4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C18H16ClNO3/c1-23-16-8-4-13(5-9-16)18(22)20-11-14(10-17(20)21)12-2-6-15(19)7-3-12/h2-9,14H,10-11H2,1H3
InChIKeyUGMOFEZUZCRWSE-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one

4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 2843164) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID2843164
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C18H16ClNO3/c1-23-16-8-4-13(5-9-16)18(22)20-11-14(10-17(20)21)12-2-6-15(19)7-3-12/h2-9,14H,10-11H2,1H3
InChIKeyUGMOFEZUZCRWSE-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one (CID 2843164) is 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one is COc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)CC2=O)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is UGMOFEZUZCRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-23-16-8-4-13(5-9-16)18(22)20-11-14(10-17(20)21)12-2-6-15(19)7-3-12/h2-9,14H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one?
4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one has a molecular weight of 329.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 2843164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).