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

C21H20ClNO2 — CID 58966957

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one
SMILESCCOCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClNO2/c1-2-25-15-17-3-7-18(8-4-17)19-9-12-21(24)23(14-19)13-16-5-10-20(22)11-6-16/h3-12,14H,2,13,15H2,1H3
InChIKeyQACDAMSBMACTNI-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.75
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one (PubChem CID 58966957) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one
PubChem CID58966957
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one
SMILESCCOCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClNO2/c1-2-25-15-17-3-7-18(8-4-17)19-9-12-21(24)23(14-19)13-16-5-10-20(22)11-6-16/h3-12,14H,2,13,15H2,1H3
InChIKeyQACDAMSBMACTNI-UHFFFAOYSA-N
XLogP4.75
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.75
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-(ethoxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one (CID 58966957) is 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one is CCOCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one?
The InChIKey is QACDAMSBMACTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-2-25-15-17-3-7-18(8-4-17)19-9-12-21(24)23(14-19)13-16-5-10-20(22)11-6-16/h3-12,14H,2,13,15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(ethoxymethyl)phenyl]pyridin-2-one has a molecular weight of 353.85 g/mol, XLogP of 4.75, 6 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-(ethoxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 58966957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).