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

C18H14ClFN4O — CID 113041381

IUPAC3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN4O/c19-14-6-3-5-12(10-14)18(25)22-17-9-8-16(23-24-17)21-11-13-4-1-2-7-15(13)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyYIFGTSHIFMVNAL-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

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

3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041381) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041381
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN4O/c19-14-6-3-5-12(10-14)18(25)22-17-9-8-16(23-24-17)21-11-13-4-1-2-7-15(13)20/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyYIFGTSHIFMVNAL-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

3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041381) is 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccccc2F)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is YIFGTSHIFMVNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-14-6-3-5-12(10-14)18(25)22-17-9-8-16(23-24-17)21-11-13-4-1-2-7-15(13)20/h1-10H,11H2,(H,21,23)(H,22,24,25).
What are the key properties of 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide?
3-chloro-N-[6-[(2-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 3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).