3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

C21H20F2N4O — CID 53495253

IUPAC3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4O/c1-21(2,16-7-6-15(22)11-17(16)23)12-25-19-9-8-18(26-27-19)13-4-3-5-14(10-13)20(24)28/h3-11H,12H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyGHMBHZFWFYJOQH-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.91
Rot. Bonds6

About 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (PubChem CID 53495253) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
PubChem CID53495253
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4O/c1-21(2,16-7-6-15(22)11-17(16)23)12-25-19-9-8-18(26-27-19)13-4-3-5-14(10-13)20(24)28/h3-11H,12H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyGHMBHZFWFYJOQH-UHFFFAOYSA-N
XLogP3.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (CID 53495253) is 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is CC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1F.
What is the InChIKey of 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The InChIKey is GHMBHZFWFYJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-21(2,16-7-6-15(22)11-17(16)23)12-25-19-9-8-18(26-27-19)13-4-3-5-14(10-13)20(24)28/h3-11H,12H2,1-2H3,(H2,24,28)(H,25,27).
What are the key properties of 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53495253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).