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

C21H17BrF2N2O3 — CID 22051103

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-14-6-7-15(23)10-17(14)24)19(22)21(28)26(12)16-5-3-4-13(9-16)20(27)25-2/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyKZKMIYIQLWQAOL-UHFFFAOYSA-N
MW463.28 g/mol
LogP4.13
Rot. Bonds5

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide (PubChem CID 22051103) has the molecular formula C21H17BrF2N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide
PubChem CID22051103
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-14-6-7-15(23)10-17(14)24)19(22)21(28)26(12)16-5-3-4-13(9-16)20(27)25-2/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyKZKMIYIQLWQAOL-UHFFFAOYSA-N
XLogP4.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PH 797804
CID 22049997
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11305782
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11431185
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]-4-(hydroxymethyl)-N-methylbenzamide
CID 22050029
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N,4-trimethylbenzamide
CID 22050036
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]benzamide
CID 22050120

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide (CID 22051103) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide is CNC(=O)c1cccc(-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]-N-methylbenzamide?
The InChIKey is KZKMIYIQLWQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-14-6-7-15(23)10-17(14)24)19(22)21(28)26(12)16-5-3-4-13(9-16)20(27)25-2/h3-10H,11H2,1-2H3,(H,25,27).
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide has a molecular weight of 463.28 g/mol, XLogP of 4.13, 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-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 22051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).