5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide

C11H6Cl2IN3O — CID 113235172

IUPAC5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H6Cl2IN3O/c12-6-1-2-8(14)7(5-6)11(18)15-10-4-3-9(13)16-17-10/h1-5H,(H,15,17,18)
InChIKeyMCHFBLVLFLGTDL-UHFFFAOYSA-N
MW394.00 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide

5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide (PubChem CID 113235172) has the molecular formula C11H6Cl2IN3O and a molecular weight of 394.00 g/mol. Its IUPAC name is 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
PubChem CID113235172
Molecular FormulaC11H6Cl2IN3O
Molecular Weight394.00 g/mol
Exact Mass392.89
IUPAC Name5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H6Cl2IN3O/c12-6-1-2-8(14)7(5-6)11(18)15-10-4-3-9(13)16-17-10/h1-5H,(H,15,17,18)
InChIKeyMCHFBLVLFLGTDL-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide (CID 113235172) is 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide is O=C(Nc1ccc(Cl)nn1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide?
The InChIKey is MCHFBLVLFLGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2IN3O/c12-6-1-2-8(14)7(5-6)11(18)15-10-4-3-9(13)16-17-10/h1-5H,(H,15,17,18).
What are the key properties of 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide?
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide has a molecular weight of 394.00 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide is sourced from PubChem (CID 113235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).