3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide

C12H9BrClN3O — CID 102989546

IUPAC3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(6-9(13)5-7)12(18)17-11-10(14)15-2-3-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyMBLMYVXCVRABHG-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide

3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide (PubChem CID 102989546) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
PubChem CID102989546
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-8(6-9(13)5-7)12(18)17-11-10(14)15-2-3-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyMBLMYVXCVRABHG-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
CID 102989362
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide (CID 102989546) is 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2nccnc2Cl)c1.
What is the InChIKey of 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide?
The InChIKey is MBLMYVXCVRABHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-8(6-9(13)5-7)12(18)17-11-10(14)15-2-3-16-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide?
3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide is sourced from PubChem (CID 102989546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).