1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one

C20H17Cl2NO2 — CID 16657539

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
SMILESCc1ccc(COc2ccn(Cc3ccc(Cl)cc3Cl)c(=O)c2)cc1
InChIInChI=1S/C20H17Cl2NO2/c1-14-2-4-15(5-3-14)13-25-18-8-9-23(20(24)11-18)12-16-6-7-17(21)10-19(16)22/h2-11H,12-13H2,1H3
InChIKeyVHMUQLFXMAVXMN-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.09
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one (PubChem CID 16657539) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
PubChem CID16657539
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
SMILESCc1ccc(COc2ccn(Cc3ccc(Cl)cc3Cl)c(=O)c2)cc1
InChIInChI=1S/C20H17Cl2NO2/c1-14-2-4-15(5-3-14)13-25-18-8-9-23(20(24)11-18)12-16-6-7-17(21)10-19(16)22/h2-11H,12-13H2,1H3
InChIKeyVHMUQLFXMAVXMN-UHFFFAOYSA-N
XLogP5.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one (CID 16657539) is 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one is Cc1ccc(COc2ccn(Cc3ccc(Cl)cc3Cl)c(=O)c2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is VHMUQLFXMAVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-14-2-4-15(5-3-14)13-25-18-8-9-23(20(24)11-18)12-16-6-7-17(21)10-19(16)22/h2-11H,12-13H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 374.27 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 16657539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).