3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one

C20H17Cl2NO2 — CID 54698347

IUPAC3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1ccccc1
InChIInChI=1S/C20H17Cl2NO2/c21-16-7-6-15(18(22)13-16)12-17-19(24)9-11-23(20(17)25)10-8-14-4-2-1-3-5-14/h1-7,9,11,13,24H,8,10,12H2
InChIKeyDWGROQGMQQLFGX-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.69
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one

3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one (PubChem CID 54698347) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
PubChem CID54698347
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1ccccc1
InChIInChI=1S/C20H17Cl2NO2/c21-16-7-6-15(18(22)13-16)12-17-19(24)9-11-23(20(17)25)10-8-14-4-2-1-3-5-14/h1-7,9,11,13,24H,8,10,12H2
InChIKeyDWGROQGMQQLFGX-UHFFFAOYSA-N
XLogP4.69
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)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 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one (CID 54698347) is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1ccccc1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is DWGROQGMQQLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c21-16-7-6-15(18(22)13-16)12-17-19(24)9-11-23(20(17)25)10-8-14-4-2-1-3-5-14/h1-7,9,11,13,24H,8,10,12H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one?
3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 374.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 54698347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).