2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide

C18H14ClFN4O — CID 113041470

IUPAC2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)nn1)c1ccccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-14(15)18(25)22-17-10-9-16(23-24-17)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyFDUZHCDDPKWDJY-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide

2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041470) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041470
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)nn1)c1ccccc1Cl
InChIInChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-14(15)18(25)22-17-10-9-16(23-24-17)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyFDUZHCDDPKWDJY-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

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
CID 113047175
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041470) is 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccc(F)cc2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is FDUZHCDDPKWDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-4-2-1-3-14(15)18(25)22-17-10-9-16(23-24-17)21-11-12-5-7-13(20)8-6-12/h1-10H,11H2,(H,21,23)(H,22,24,25).
What are the key properties of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide 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 2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).