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

C19H13Cl2F2NO2 — CID 174190879

IUPAC3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C19H13Cl2F2NO2/c1-26-12-4-5-16(20)13(8-12)15-9-24-19(25)18(21)14(15)6-10-2-3-11(22)7-17(10)23/h2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyWLGHVBONWWBZAD-UHFFFAOYSA-N
MW396.22 g/mol
LogP5.23
Rot. Bonds4

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

3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one (PubChem CID 174190879) has the molecular formula C19H13Cl2F2NO2 and a molecular weight of 396.22 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
PubChem CID174190879
Molecular FormulaC19H13Cl2F2NO2
Molecular Weight396.22 g/mol
Exact Mass395.03
IUPAC Name3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCOc1ccc(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C19H13Cl2F2NO2/c1-26-12-4-5-16(20)13(8-12)15-9-24-19(25)18(21)14(15)6-10-2-3-11(22)7-17(10)23/h2-5,7-9H,6H2,1H3,(H,24,25)
InChIKeyWLGHVBONWWBZAD-UHFFFAOYSA-N
XLogP5.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174190820
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CID 53227485
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
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CID 69286304
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4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
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[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
CID 172653787
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
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N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one (CID 174190879) is 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one is COc1ccc(Cl)c(-c2c[nH]c(=O)c(Cl)c2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
The InChIKey is WLGHVBONWWBZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO2/c1-26-12-4-5-16(20)13(8-12)15-9-24-19(25)18(21)14(15)6-10-2-3-11(22)7-17(10)23/h2-5,7-9H,6H2,1H3,(H,24,25).
What are the key properties of 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one?
3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one has a molecular weight of 396.22 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-5-methoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 174190879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).