4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one

C20H17ClFNO — CID 170562362

IUPAC4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1cc(C)cc(-c2cn(C)c(=O)cc2-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-12-6-13(2)8-14(7-12)18-11-23(3)20(24)10-17(18)16-5-4-15(22)9-19(16)21/h4-11H,1-3H3
InChIKeyZRQLSVLWWAQAPP-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.13
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one

4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one (PubChem CID 170562362) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one
PubChem CID170562362
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1cc(C)cc(-c2cn(C)c(=O)cc2-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H17ClFNO/c1-12-6-13(2)8-14(7-12)18-11-23(3)20(24)10-17(18)16-5-4-15(22)9-19(16)21/h4-11H,1-3H3
InChIKeyZRQLSVLWWAQAPP-UHFFFAOYSA-N
XLogP5.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one (CID 170562362) is 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one is Cc1cc(C)cc(-c2cn(C)c(=O)cc2-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one?
The InChIKey is ZRQLSVLWWAQAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c1-12-6-13(2)8-14(7-12)18-11-23(3)20(24)10-17(18)16-5-4-15(22)9-19(16)21/h4-11H,1-3H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one?
4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one has a molecular weight of 341.81 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 170562362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).