3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide

C22H19ClF2N2O4 — CID 142776165

IUPAC3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(-n2c(CO)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1
InChIInChI=1S/C22H19ClF2N2O4/c1-12-3-4-13(21(29)26-2)7-18(12)27-16(10-28)9-19(20(23)22(27)30)31-11-14-5-6-15(24)8-17(14)25/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyLCIDSLSHWWSUGT-UHFFFAOYSA-N
MW448.85 g/mol
LogP3.51
Rot. Bonds6

About 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide

3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide (PubChem CID 142776165) has the molecular formula C22H19ClF2N2O4 and a molecular weight of 448.85 g/mol. Its IUPAC name is 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
PubChem CID142776165
Molecular FormulaC22H19ClF2N2O4
Molecular Weight448.85 g/mol
Exact Mass448.10
IUPAC Name3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(-n2c(CO)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1
InChIInChI=1S/C22H19ClF2N2O4/c1-12-3-4-13(21(29)26-2)7-18(12)27-16(10-28)9-19(20(23)22(27)30)31-11-14-5-6-15(24)8-17(14)25/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyLCIDSLSHWWSUGT-UHFFFAOYSA-N
XLogP3.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chloro-N-methylbenzamide
CID 56662990
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 138530072
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(methylcarbamoyl)benzoic acid
CID 22050889
3-[2-(acetamidomethyl)-5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-N,4-dimethylbenzamide
CID 21089149
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
CID 22050902
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-[4-[[2-[[[C-(2-amino-3,3-dimethylbut-1-enyl)-N-(3-chloro-4-hydroxyphenyl)carbonimidoyl]carbamoylamino]methyl]-4-fluorophenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 173496102
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-2-(prop-2-enylamino)pyrimidin-1-yl]-4-methylbenzoic acid
CID 21089150
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide;3-bromo-4-hydroxy-1-[5-(imidazole-1-carbonyl)-2-methylphenyl]-6-methylpyridin-2-one;3-(3-bromo-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-N,4-dimethylbenzamide;1-(bromomethyl)-2,4-difluorobenzene;methanamine
CID 157121197

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide (CID 142776165) is 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(-n2c(CO)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1.
What is the InChIKey of 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The InChIKey is LCIDSLSHWWSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4/c1-12-3-4-13(21(29)26-2)7-18(12)27-16(10-28)9-19(20(23)22(27)30)31-11-14-5-6-15(24)8-17(14)25/h3-9,28H,10-11H2,1-2H3,(H,26,29).
What are the key properties of 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide has a molecular weight of 448.85 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 142776165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).