3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide

C19H15F3N4O — CID 113042530

IUPAC3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F3N4O/c20-14-4-2-1-3-12(14)9-10-23-17-7-8-18(26-25-17)24-19(27)13-5-6-15(21)16(22)11-13/h1-8,11H,9-10H2,(H,23,25)(H,24,26,27)
InChIKeyPQPBYPCWVLSFMI-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.80
Rot. Bonds6

About 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide

3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide (PubChem CID 113042530) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
PubChem CID113042530
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F3N4O/c20-14-4-2-1-3-12(14)9-10-23-17-7-8-18(26-25-17)24-19(27)13-5-6-15(21)16(22)11-13/h1-8,11H,9-10H2,(H,23,25)(H,24,26,27)
InChIKeyPQPBYPCWVLSFMI-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.80
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
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide (CID 113042530) is 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCCc2ccccc2F)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
The InChIKey is PQPBYPCWVLSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-14-4-2-1-3-12(14)9-10-23-17-7-8-18(26-25-17)24-19(27)13-5-6-15(21)16(22)11-13/h1-8,11H,9-10H2,(H,23,25)(H,24,26,27).
What are the key properties of 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide?
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide has a molecular weight of 372.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).