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

C20H18ClNO2 — CID 69445842

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
SMILESCOCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H18ClNO2/c1-24-14-16-2-6-17(7-3-16)18-8-11-20(23)22(13-18)12-15-4-9-19(21)10-5-15/h2-11,13H,12,14H2,1H3
InChIKeyJATGSYOIYLEHEX-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.36
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one (PubChem CID 69445842) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
PubChem CID69445842
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
SMILESCOCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H18ClNO2/c1-24-14-16-2-6-17(7-3-16)18-8-11-20(23)22(13-18)12-15-4-9-19(21)10-5-15/h2-11,13H,12,14H2,1H3
InChIKeyJATGSYOIYLEHEX-UHFFFAOYSA-N
XLogP4.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.36
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-(methoxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one (CID 69445842) is 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one is COCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
The InChIKey is JATGSYOIYLEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-24-14-16-2-6-17(7-3-16)18-8-11-20(23)22(13-18)12-15-4-9-19(21)10-5-15/h2-11,13H,12,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one has a molecular weight of 339.82 g/mol, XLogP of 4.36, 5 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-(methoxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69445842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).