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

C20H15Cl3FNO3 — CID 170562351

IUPAC3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)cc(OC)c1Cl
InChIInChI=1S/C20H15Cl3FNO3/c1-25-9-13(10-6-15(27-2)18(22)16(7-10)28-3)17(19(23)20(25)26)12-5-4-11(24)8-14(12)21/h4-9H,1-3H3
InChIKeyAYJJTCJMOLXLFZ-UHFFFAOYSA-N
MW442.70 g/mol
LogP5.84
Rot. Bonds4

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

3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one (PubChem CID 170562351) has the molecular formula C20H15Cl3FNO3 and a molecular weight of 442.70 g/mol. Its IUPAC name is 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one
PubChem CID170562351
Molecular FormulaC20H15Cl3FNO3
Molecular Weight442.70 g/mol
Exact Mass441.01
IUPAC Name3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)cc(OC)c1Cl
InChIInChI=1S/C20H15Cl3FNO3/c1-25-9-13(10-6-15(27-2)18(22)16(7-10)28-3)17(19(23)20(25)26)12-5-4-11(24)8-14(12)21/h4-9H,1-3H3
InChIKeyAYJJTCJMOLXLFZ-UHFFFAOYSA-N
XLogP5.84
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.70
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one with MolForge

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Related Compounds

6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one
CID 165389201
5-(4-chloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-6-(2,4,6-trifluorophenyl)pyridine-3-carbonitrile
CID 167474357
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
6-(4-chloro-3,5-dimethoxyphenyl)-5-(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389179
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
CID 177322220
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
4-(5-ethylsulfonyl-2-methoxyphenyl)-7-fluoro-2-methylisoquinolin-1-one
CID 118027894
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
CID 137458585
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one (CID 170562351) is 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one is COc1cc(-c2cn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)cc(OC)c1Cl.
What is the InChIKey of 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one?
The InChIKey is AYJJTCJMOLXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3FNO3/c1-25-9-13(10-6-15(27-2)18(22)16(7-10)28-3)17(19(23)20(25)26)12-5-4-11(24)8-14(12)21/h4-9H,1-3H3.
What are the key properties of 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one?
3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one has a molecular weight of 442.70 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 170562351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).