2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide

C12H9BrFN3O2 — CID 75432111

IUPAC2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2Br)ncn1
InChIInChI=1S/C12H9BrFN3O2/c1-19-10-5-9(15-6-16-10)17-12(18)11-7(13)3-2-4-8(11)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyWGYSWWFKWNEJTD-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide

2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide (PubChem CID 75432111) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
PubChem CID75432111
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2Br)ncn1
InChIInChI=1S/C12H9BrFN3O2/c1-19-10-5-9(15-6-16-10)17-12(18)11-7(13)3-2-4-8(11)14/h2-6H,1H3,(H,15,16,17,18)
InChIKeyWGYSWWFKWNEJTD-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 114560010
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-2-carboxamide
CID 154805805
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 115678259
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
phenyl N-(6-methoxypyrimidin-4-yl)carbamate
CID 66833981
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide (CID 75432111) is 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide is COc1cc(NC(=O)c2c(F)cccc2Br)ncn1.
What is the InChIKey of 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide?
The InChIKey is WGYSWWFKWNEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c1-19-10-5-9(15-6-16-10)17-12(18)11-7(13)3-2-4-8(11)14/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide?
2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide has a molecular weight of 326.13 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 75432111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).