2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one

C19H16ClNO — CID 122663097

IUPAC2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-2-4-15(5-3-14)13-21-11-10-18(22)12-19(21)16-6-8-17(20)9-7-16/h2-12H,13H2,1H3
InChIKeyQZWDMGANCDJJBC-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.53
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one

2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one (PubChem CID 122663097) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one
PubChem CID122663097
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-2-4-15(5-3-14)13-21-11-10-18(22)12-19(21)16-6-8-17(20)9-7-16/h2-12H,13H2,1H3
InChIKeyQZWDMGANCDJJBC-UHFFFAOYSA-N
XLogP4.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-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 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one (CID 122663097) is 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one is Cc1ccc(Cn2ccc(=O)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one?
The InChIKey is QZWDMGANCDJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-14-2-4-15(5-3-14)13-21-11-10-18(22)12-19(21)16-6-8-17(20)9-7-16/h2-12H,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one?
2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one has a molecular weight of 309.80 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 122663097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).