2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide

C12H9BrClN3O — CID 102989362

IUPAC2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccnc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-2-3-8(9(13)6-7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyXLOQKGPJPMRSOB-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide

2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide (PubChem CID 102989362) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
PubChem CID102989362
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccnc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-2-3-8(9(13)6-7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyXLOQKGPJPMRSOB-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

2-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989369
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989546
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 102989148
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide (CID 102989362) is 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nccnc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide?
The InChIKey is XLOQKGPJPMRSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-2-3-8(9(13)6-7)12(18)17-11-10(14)15-4-5-16-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide?
2-bromo-N-(3-chloropyrazin-2-yl)-4-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 2-bromo-N-(3-chloropyrazin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 102989362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).