N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide

C18H14ClFN4O — CID 113041609

IUPACN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1F
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-16-9-10-17(24-23-16)22-18(25)14-3-1-2-4-15(14)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyBKBCEGDTBQXDIT-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide (PubChem CID 113041609) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
PubChem CID113041609
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1F
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-16-9-10-17(24-23-16)22-18(25)14-3-1-2-4-15(14)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyBKBCEGDTBQXDIT-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041470
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041597
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide (CID 113041609) is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide is O=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1F.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide?
The InChIKey is BKBCEGDTBQXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-16-9-10-17(24-23-16)22-18(25)14-3-1-2-4-15(14)20/h1-10H,11H2,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide?
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide has a molecular weight of 356.79 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 113041609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).