3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one

C20H15Cl2F2NO3 — CID 174190820

IUPAC3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C20H15Cl2F2NO3/c1-27-12-7-14(18(21)17(8-12)28-2)15-9-25-20(26)19(22)13(15)5-10-3-4-11(23)6-16(10)24/h3-4,6-9H,5H2,1-2H3,(H,25,26)
InChIKeyUHAZKZSMITYVEJ-UHFFFAOYSA-N
MW426.25 g/mol
LogP5.23
Rot. Bonds5

About 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one

3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one (PubChem CID 174190820) has the molecular formula C20H15Cl2F2NO3 and a molecular weight of 426.25 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
PubChem CID174190820
Molecular FormulaC20H15Cl2F2NO3
Molecular Weight426.25 g/mol
Exact Mass425.04
IUPAC Name3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C20H15Cl2F2NO3/c1-27-12-7-14(18(21)17(8-12)28-2)15-9-25-20(26)19(22)13(15)5-10-3-4-11(23)6-16(10)24/h3-4,6-9H,5H2,1-2H3,(H,25,26)
InChIKeyUHAZKZSMITYVEJ-UHFFFAOYSA-N
XLogP5.23
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.25
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
CID 174190879
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4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 141127812
5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one
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CID 11033510
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
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4-[(2,4-difluorophenyl)methyl]-8-ethyl-7-methoxy-3-[(E)-4-methoxybut-2-en-2-yl]-2H-isoquinolin-1-one
CID 144879835
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one (CID 174190820) is 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one is COc1cc(OC)c(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The InChIKey is UHAZKZSMITYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2NO3/c1-27-12-7-14(18(21)17(8-12)28-2)15-9-25-20(26)19(22)13(15)5-10-3-4-11(23)6-16(10)24/h3-4,6-9H,5H2,1-2H3,(H,25,26).
What are the key properties of 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one has a molecular weight of 426.25 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 174190820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).