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

C11H9ClN4O — CID 116786031

IUPAC5-amino-2-chloro-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H9ClN4O/c12-9-4-3-7(13)6-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17)
InChIKeyHSYFJNVGOKWVPP-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-2-chloro-N-pyridazin-3-ylbenzamide

5-amino-2-chloro-N-pyridazin-3-ylbenzamide (PubChem CID 116786031) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-amino-2-chloro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-pyridazin-3-ylbenzamide
PubChem CID116786031
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name5-amino-2-chloro-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H9ClN4O/c12-9-4-3-7(13)6-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17)
InChIKeyHSYFJNVGOKWVPP-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

4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116788097
2-amino-6-chloro-N-pyridazin-3-ylbenzamide
CID 116785965
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
CID 116786028
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
pyridazin-3-ylurea
CID 13080987
2-amino-N-pyridazin-3-yl-1,3-thiazole-4-carboxamide
CID 116786705

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 5-amino-2-chloro-N-pyridazin-3-ylbenzamide (CID 116786031) is 5-amino-2-chloro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N-pyridazin-3-ylbenzamide is Nc1ccc(Cl)c(C(=O)Nc2cccnn2)c1.
What is the InChIKey of 5-amino-2-chloro-N-pyridazin-3-ylbenzamide?
The InChIKey is HSYFJNVGOKWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-4-3-7(13)6-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17).
What are the key properties of 5-amino-2-chloro-N-pyridazin-3-ylbenzamide?
5-amino-2-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 5-amino-2-chloro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 116786031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).