2-amino-6-chloro-N-pyridazin-3-ylbenzamide

C11H9ClN4O — CID 116785965

IUPAC2-amino-6-chloro-N-pyridazin-3-ylbenzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1cccnn1
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-4-8(13)10(7)11(17)15-9-5-2-6-14-16-9/h1-6H,13H2,(H,15,16,17)
InChIKeySEXYXAGTIRXZLJ-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-6-chloro-N-pyridazin-3-ylbenzamide

2-amino-6-chloro-N-pyridazin-3-ylbenzamide (PubChem CID 116785965) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-amino-6-chloro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-pyridazin-3-ylbenzamide
PubChem CID116785965
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-amino-6-chloro-N-pyridazin-3-ylbenzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1cccnn1
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-4-8(13)10(7)11(17)15-9-5-2-6-14-16-9/h1-6H,13H2,(H,15,16,17)
InChIKeySEXYXAGTIRXZLJ-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 114052162
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
3-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116788097
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
pyridazin-3-ylurea
CID 13080987
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
CID 116786705
2-amino-6-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 63669500
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
CID 59618305
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-pyridazin-3-ylbenzamide (CID 116785965) is 2-amino-6-chloro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-pyridazin-3-ylbenzamide is Nc1cccc(Cl)c1C(=O)Nc1cccnn1.
What is the InChIKey of 2-amino-6-chloro-N-pyridazin-3-ylbenzamide?
The InChIKey is SEXYXAGTIRXZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-7-3-1-4-8(13)10(7)11(17)15-9-5-2-6-14-16-9/h1-6H,13H2,(H,15,16,17).
What are the key properties of 2-amino-6-chloro-N-pyridazin-3-ylbenzamide?
2-amino-6-chloro-N-pyridazin-3-ylbenzamide has a molecular weight of 248.67 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 116785965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).