3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one

C27H23Cl2NO2 — CID 59406023

IUPAC3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one
SMILESCc1ccc(CCn2c(COc3cccc(-c4ccccc4)c3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C27H23Cl2NO2/c1-19-10-12-20(13-11-19)14-15-30-26(24(28)17-25(29)27(30)31)18-32-23-9-5-8-22(16-23)21-6-3-2-4-7-21/h2-13,16-17H,14-15,18H2,1H3
InChIKeyUFAFTKQYQTYTDS-UHFFFAOYSA-N
MW464.39 g/mol
LogP6.95
Rot. Bonds7

About 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one

3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one (PubChem CID 59406023) has the molecular formula C27H23Cl2NO2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one
PubChem CID59406023
Molecular FormulaC27H23Cl2NO2
Molecular Weight464.39 g/mol
Exact Mass463.11
IUPAC Name3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one
SMILESCc1ccc(CCn2c(COc3cccc(-c4ccccc4)c3)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C27H23Cl2NO2/c1-19-10-12-20(13-11-19)14-15-30-26(24(28)17-25(29)27(30)31)18-32-23-9-5-8-22(16-23)21-6-3-2-4-7-21/h2-13,16-17H,14-15,18H2,1H3
InChIKeyUFAFTKQYQTYTDS-UHFFFAOYSA-N
XLogP6.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]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 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one?
The IUPAC name of 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one (CID 59406023) is 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one?
The canonical SMILES for 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one is Cc1ccc(CCn2c(COc3cccc(-c4ccccc4)c3)c(Cl)cc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one?
The InChIKey is UFAFTKQYQTYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2NO2/c1-19-10-12-20(13-11-19)14-15-30-26(24(28)17-25(29)27(30)31)18-32-23-9-5-8-22(16-23)21-6-3-2-4-7-21/h2-13,16-17H,14-15,18H2,1H3.
What are the key properties of 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one?
3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one has a molecular weight of 464.39 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[2-(4-methylphenyl)ethyl]-6-[(3-phenylphenoxy)methyl]pyridin-2-one is sourced from PubChem (CID 59406023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).