4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide

C12H9BrClN3O — CID 115624460

IUPAC4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H9BrClN3O/c1-7-6-8(13)2-3-9(7)12(18)15-11-5-4-10(14)16-17-11/h2-6H,1H3,(H,15,17,18)
InChIKeyFULMAWJLOGLJOQ-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide

4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide (PubChem CID 115624460) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
PubChem CID115624460
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H9BrClN3O/c1-7-6-8(13)2-3-9(7)12(18)15-11-5-4-10(14)16-17-11/h2-6H,1H3,(H,15,17,18)
InChIKeyFULMAWJLOGLJOQ-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

N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
CID 115608607
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide (CID 115624460) is 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide?
The InChIKey is FULMAWJLOGLJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-6-8(13)2-3-9(7)12(18)15-11-5-4-10(14)16-17-11/h2-6H,1H3,(H,15,17,18).
What are the key properties of 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide?
4-bromo-N-(6-chloropyridazin-3-yl)-2-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 4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide is sourced from PubChem (CID 115624460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).