1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one

C26H22ClNO2 — CID 69445908

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(COCc3ccccc3)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H22ClNO2/c27-25-13-8-20(9-14-25)16-28-17-24(12-15-26(28)29)23-10-6-22(7-11-23)19-30-18-21-4-2-1-3-5-21/h1-15,17H,16,18-19H2
InChIKeyXMAKGYFURQPBBT-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.93
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one (PubChem CID 69445908) has the molecular formula C26H22ClNO2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one
PubChem CID69445908
Molecular FormulaC26H22ClNO2
Molecular Weight415.92 g/mol
Exact Mass415.13
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(COCc3ccccc3)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H22ClNO2/c27-25-13-8-20(9-14-25)16-28-17-24(12-15-26(28)29)23-10-6-22(7-11-23)19-30-18-21-4-2-1-3-5-21/h1-15,17H,16,18-19H2
InChIKeyXMAKGYFURQPBBT-UHFFFAOYSA-N
XLogP5.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]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-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one (CID 69445908) is 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one is O=c1ccc(-c2ccc(COCc3ccccc3)cc2)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one?
The InChIKey is XMAKGYFURQPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO2/c27-25-13-8-20(9-14-25)16-28-17-24(12-15-26(28)29)23-10-6-22(7-11-23)19-30-18-21-4-2-1-3-5-21/h1-15,17H,16,18-19H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one has a molecular weight of 415.92 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(phenylmethoxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69445908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).