2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide

C13H11BrFN3O3 — CID 107626160

IUPAC2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C13H11BrFN3O3/c1-20-9-6-10(21-2)17-13(16-9)18-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyKJDZFOKOLGTZRH-UHFFFAOYSA-N
MW356.15 g/mol
LogP2.65
Rot. Bonds4

About 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide

2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide (PubChem CID 107626160) has the molecular formula C13H11BrFN3O3 and a molecular weight of 356.15 g/mol. Its IUPAC name is 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
PubChem CID107626160
Molecular FormulaC13H11BrFN3O3
Molecular Weight356.15 g/mol
Exact Mass355.00
IUPAC Name2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C13H11BrFN3O3/c1-20-9-6-10(21-2)17-13(16-9)18-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyKJDZFOKOLGTZRH-UHFFFAOYSA-N
XLogP2.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
CID 75432111
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
CID 67854225
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide (CID 107626160) is 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide is COc1cc(OC)nc(NC(=O)c2c(F)cccc2Br)n1.
What is the InChIKey of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide?
The InChIKey is KJDZFOKOLGTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O3/c1-20-9-6-10(21-2)17-13(16-9)18-12(19)11-7(14)4-3-5-8(11)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide?
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide has a molecular weight of 356.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 107626160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).