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

C21H17BrF2N2O3 — CID 142776164

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(Br)c(OCc3ccc(F)cc3F)cc(=O)n2C)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-25-21(28)13-5-3-4-12(8-13)20-19(22)17(10-18(27)26(20)2)29-11-14-6-7-15(23)9-16(14)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyHONFFVWGUVRNEN-UHFFFAOYSA-N
MW463.28 g/mol
LogP4.03
Rot. Bonds5

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide (PubChem CID 142776164) 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]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide
PubChem CID142776164
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(Br)c(OCc3ccc(F)cc3F)cc(=O)n2C)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-25-21(28)13-5-3-4-12(8-13)20-19(22)17(10-18(27)26(20)2)29-11-14-6-7-15(23)9-16(14)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyHONFFVWGUVRNEN-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
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
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-methylbenzamide
CID 21089272
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-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N-methylbenzamide
CID 21089260
3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 138530072
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
4-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 87998048
3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 142776165
3-[2-[2-[(2,4-difluorophenyl)methoxy]-5-fluorophenyl]phenyl]benzoic acid
CID 10025908
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide (CID 142776164) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2c(Br)c(OCc3ccc(F)cc3F)cc(=O)n2C)c1.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide?
The InChIKey is HONFFVWGUVRNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c1-25-21(28)13-5-3-4-12(8-13)20-19(22)17(10-18(27)26(20)2)29-11-14-6-7-15(23)9-16(14)24/h3-10H,11H2,1-2H3,(H,25,28).
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide has a molecular weight of 463.28 g/mol, XLogP of 4.03, 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]-1-methyl-6-oxo-2-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 142776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).