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

C23H24ClNO2 — CID 69443395

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
SMILESCC(C)COCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H24ClNO2/c1-17(2)15-27-16-19-3-7-20(8-4-19)21-9-12-23(26)25(14-21)13-18-5-10-22(24)11-6-18/h3-12,14,17H,13,15-16H2,1-2H3
InChIKeyVIIDXWCYAZCTIW-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.39
Rot. Bonds7

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

1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one (PubChem CID 69443395) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
PubChem CID69443395
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
SMILESCC(C)COCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H24ClNO2/c1-17(2)15-27-16-19-3-7-20(8-4-19)21-9-12-23(26)25(14-21)13-18-5-10-22(24)11-6-18/h3-12,14,17H,13,15-16H2,1-2H3
InChIKeyVIIDXWCYAZCTIW-UHFFFAOYSA-N
XLogP5.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one (CID 69443395) is 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one is CC(C)COCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one?
The InChIKey is VIIDXWCYAZCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-17(2)15-27-16-19-3-7-20(8-4-19)21-9-12-23(26)25(14-21)13-18-5-10-22(24)11-6-18/h3-12,14,17H,13,15-16H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one has a molecular weight of 381.90 g/mol, XLogP of 5.39, 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-(2-methylpropoxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69443395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).