3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide

C22H19BrF2N2O4 — CID 22050029

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(CO)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-12-7-19(31-11-15-5-6-16(24)9-17(15)25)20(23)22(30)27(12)18-8-13(21(29)26-2)3-4-14(18)10-28/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyWGROYRNAUJEBMH-UHFFFAOYSA-N
MW493.30 g/mol
LogP3.62
Rot. Bonds6

About 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide (PubChem CID 22050029) has the molecular formula C22H19BrF2N2O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide
PubChem CID22050029
Molecular FormulaC22H19BrF2N2O4
Molecular Weight493.30 g/mol
Exact Mass492.05
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(CO)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-12-7-19(31-11-15-5-6-16(24)9-17(15)25)20(23)22(30)27(12)18-8-13(21(29)26-2)3-4-14(18)10-28/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyWGROYRNAUJEBMH-UHFFFAOYSA-N
XLogP3.62
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PH 797804
CID 22049997
3-[4-[(2,4-difluorobenzyl)oxy]-5-ethyl-6-oxopyrimidin-1(6H)-yl]-N-(2-hydroxyethyl)-4-methylbenzamide
CID 21088983
3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl]-N-(2-hydroxyethyl)-4-methylbenzamide
CID 21088999
N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
CID 22049888
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide
CID 22049940
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
CID 22049953
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide
CID 22050003
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
CID 22050036
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]benzamide
CID 22050120
4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,3-dimethylbenzamide
CID 22050254
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-4-fluoro-N-methylbenzamide
CID 22050313
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-(hydroxymethyl)-2-oxopyridin-1(2H)-yl]-N,4-dimethylbenzamide
CID 22050534

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide (CID 22050029) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide is CNC(=O)c1ccc(CO)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide?
The InChIKey is WGROYRNAUJEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O4/c1-12-7-19(31-11-15-5-6-16(24)9-17(15)25)20(23)22(30)27(12)18-8-13(21(29)26-2)3-4-14(18)10-28/h3-9,28H,10-11H2,1-2H3,(H,26,29).
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide has a molecular weight of 493.30 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(hydroxymethyl)-N-methylbenzamide is sourced from PubChem (CID 22050029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).