N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide

C18H15FN4O — CID 113041356

IUPACN-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)nn1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c19-15-9-5-4-8-14(15)12-20-16-10-11-17(23-22-16)21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24)
InChIKeyXJBXPDMZNUJWBH-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide

N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041356) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041356
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)nn1)c1ccccc1
InChIInChI=1S/C18H15FN4O/c19-15-9-5-4-8-14(15)12-20-16-10-11-17(23-22-16)21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24)
InChIKeyXJBXPDMZNUJWBH-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113040911
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
CID 113038445
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109119228

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041356) is N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccccc2F)nn1)c1ccccc1.
What is the InChIKey of N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is XJBXPDMZNUJWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-9-5-4-8-14(15)12-20-16-10-11-17(23-22-16)21-18(24)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 322.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).