N-[2-(pyridazine-3-carbonyl)phenyl]benzamide

C18H13N3O2 — CID 19689779

IUPACN-[2-(pyridazine-3-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)c1cccnn1)c1ccccc1
InChIInChI=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)
InChIKeyPOSLWNHYYZMWJI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.96
Rot. Bonds4

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 NameN-[2-(pyridazine-3-carbonyl)phenyl]benzamide
PubChem CID19689779
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-[2-(pyridazine-3-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)c1cccnn1)c1ccccc1
InChIInChI=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)
InChIKeyPOSLWNHYYZMWJI-UHFFFAOYSA-N
XLogP2.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).