2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide

C11H9BrFN3O — CID 115678259

IUPAC2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyZWMDGXSYFDREJT-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.57
Rot. Bonds2

About 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide

2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 115678259) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID115678259
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2c(F)cccc2Br)n1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyZWMDGXSYFDREJT-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
CID 75432111
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886
3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
CID 100616220
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide (CID 115678259) is 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2c(F)cccc2Br)n1.
What is the InChIKey of 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is ZWMDGXSYFDREJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 115678259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).