About N-[2-(pyridazine-3-carbonyl)phenyl]benzamide
N-[2-(pyridazine-3-carbonyl)phenyl]benzamide (PubChem CID 19689779) has the molecular formula C18H13N3O2
and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-(pyridazine-3-carbonyl)phenyl]benzamide.
Molecular Properties
| Compound Name | N-[2-(pyridazine-3-carbonyl)phenyl]benzamide |
| PubChem CID | 19689779 |
| Molecular Formula | C18H13N3O2 |
| Molecular Weight | 303.32 g/mol |
| Exact Mass | 303.10 |
| IUPAC Name | N-[2-(pyridazine-3-carbonyl)phenyl]benzamide |
| SMILES | O=C(Nc1ccccc1C(=O)c1cccnn1)c1ccccc1 |
| InChI | InChI=1S/C18H13N3O2/c22-17(16-11-6-12-19-21-16)14-9-4-5-10-15(14)20-18(23)13-7-2-1-3-8-13/h1-12H,(H,20,23) |
| InChIKey | POSLWNHYYZMWJI-UHFFFAOYSA-N |
| XLogP | 2.96 |
| TPSA | 71.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 303.32 |
| LogP ≤ 5 | 2.96 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(pyridazine-3-carbonyl)phenyl]benzamide?
The IUPAC name of N-[2-(pyridazine-3-carbonyl)phenyl]benzamide (CID 19689779) is N-[2-(pyridazine-3-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(pyridazine-3-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[2-(pyridazine-3-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)c1cccnn1)c1ccccc1.
What is the InChIKey of N-[2-(pyridazine-3-carbonyl)phenyl]benzamide?
The InChIKey is POSLWNHYYZMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17(16-11-6-12-19-21-16)14-9-4-5-10-15(14)20-18(23)13-7-2-1-3-8-13/h1-12H,(H,20,23).
What are the key properties of N-[2-(pyridazine-3-carbonyl)phenyl]benzamide?
N-[2-(pyridazine-3-carbonyl)phenyl]benzamide has a molecular weight of 303.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridazine-3-carbonyl)phenyl]benzamide is sourced from PubChem (CID 19689779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).