3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide

C23H22BrFN2O3 — CID 138530072

IUPAC3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3C)c(Br)c2=O)c1
InChIInChI=1S/C23H22BrFN2O3/c1-13-5-6-16(22(28)26-4)11-19(13)27-15(3)10-20(21(24)23(27)29)30-12-17-7-8-18(25)9-14(17)2/h5-11H,12H2,1-4H3,(H,26,28)
InChIKeyAZLUKBOKWVZGCH-UHFFFAOYSA-N
MW473.34 g/mol
LogP4.60
Rot. Bonds5

About 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide

3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide (PubChem CID 138530072) has the molecular formula C23H22BrFN2O3 and a molecular weight of 473.34 g/mol. Its IUPAC name is 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
PubChem CID138530072
Molecular FormulaC23H22BrFN2O3
Molecular Weight473.34 g/mol
Exact Mass472.08
IUPAC Name3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3C)c(Br)c2=O)c1
InChIInChI=1S/C23H22BrFN2O3/c1-13-5-6-16(22(28)26-4)11-19(13)27-15(3)10-20(21(24)23(27)29)30-12-17-7-8-18(25)9-14(17)2/h5-11H,12H2,1-4H3,(H,26,28)
InChIKeyAZLUKBOKWVZGCH-UHFFFAOYSA-N
XLogP4.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chloro-N-methylbenzamide
CID 56662990
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(methylcarbamoyl)benzoic acid
CID 22050889
[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid
CID 151118344
methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
CID 21035363
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
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 142776165
3-[2-(acetamidomethyl)-5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-N,4-dimethylbenzamide
CID 21089149
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide (CID 138530072) is 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3C)c(Br)c2=O)c1.
What is the InChIKey of 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
The InChIKey is AZLUKBOKWVZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN2O3/c1-13-5-6-16(22(28)26-4)11-19(13)27-15(3)10-20(21(24)23(27)29)30-12-17-7-8-18(25)9-14(17)2/h5-11H,12H2,1-4H3,(H,26,28).
What are the key properties of 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide?
3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide has a molecular weight of 473.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 138530072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).