3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide

C11H6Cl3N3O — CID 113230922

IUPAC3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/c12-7-3-6(4-8(13)5-7)11(18)15-10-2-1-9(14)16-17-10/h1-5H,(H,15,17,18)
InChIKeyQXCPJEDYBSZCMD-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide

3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide (PubChem CID 113230922) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
PubChem CID113230922
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/c12-7-3-6(4-8(13)5-7)11(18)15-10-2-1-9(14)16-17-10/h1-5H,(H,15,17,18)
InChIKeyQXCPJEDYBSZCMD-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
N-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115608654
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
CID 115608655

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide (CID 113230922) is 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide is O=C(Nc1ccc(Cl)nn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide?
The InChIKey is QXCPJEDYBSZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-7-3-6(4-8(13)5-7)11(18)15-10-2-1-9(14)16-17-10/h1-5H,(H,15,17,18).
What are the key properties of 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide?
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide has a molecular weight of 302.55 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide is sourced from PubChem (CID 113230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).