4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C11H8Cl2N4O2 — CID 116786983

IUPAC4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-3-5(4-7(13)10(6)14)11(19)15-8-1-2-9(18)17-16-8/h1-4H,14H2,(H,17,18)(H,15,16,19)
InChIKeyBRBGXXBPLCKJNN-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.91
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 116786983) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID116786983
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-6-3-5(4-7(13)10(6)14)11(19)15-8-1-2-9(18)17-16-8/h1-4H,14H2,(H,17,18)(H,15,16,19)
InChIKeyBRBGXXBPLCKJNN-UHFFFAOYSA-N
XLogP1.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-3-chloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787631
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 116786621
2-amino-N-(6-oxo-1H-pyridazin-3-yl)-6-propylpyridine-4-carboxamide
CID 116788000
6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
CID 116787217
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 116786983) is 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is Nc1c(Cl)cc(C(=O)Nc2ccc(=O)[nH]n2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is BRBGXXBPLCKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-6-3-5(4-7(13)10(6)14)11(19)15-8-1-2-9(18)17-16-8/h1-4H,14H2,(H,17,18)(H,15,16,19).
What are the key properties of 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 299.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 116786983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).