1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one

C18H13Cl2NO — CID 69442572

IUPAC1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)cn1Cc1ccccc1
InChIInChI=1S/C18H13Cl2NO/c19-16-8-6-14(10-17(16)20)15-7-9-18(22)21(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyAEPKDQYTOHYOHE-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.87
Rot. Bonds3

About 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one

1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one (PubChem CID 69442572) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
PubChem CID69442572
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)cn1Cc1ccccc1
InChIInChI=1S/C18H13Cl2NO/c19-16-8-6-14(10-17(16)20)15-7-9-18(22)21(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyAEPKDQYTOHYOHE-UHFFFAOYSA-N
XLogP4.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one (CID 69442572) is 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one is O=c1ccc(-c2ccc(Cl)c(Cl)c2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one?
The InChIKey is AEPKDQYTOHYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c19-16-8-6-14(10-17(16)20)15-7-9-18(22)21(12-15)11-13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one?
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one has a molecular weight of 330.21 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one is sourced from PubChem (CID 69442572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).