3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H16F3N3O2 — CID 134803949

IUPAC3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-3-2-4-15(11-14)19(27)24-12-13-5-7-16(8-6-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyUURWZTCJRRGOSI-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.10
Rot. Bonds5

About 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134803949) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134803949
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-3-2-4-15(11-14)19(27)24-12-13-5-7-16(8-6-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyUURWZTCJRRGOSI-UHFFFAOYSA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
CID 6401687
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 7593628
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
CID 7593643
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 8670453
N-(2-{[6-(4-methoxyphenyl)pyridazin-3-yl]oxy}ethyl)-3-(trifluoromethyl)benzamide
CID 8701814
2-(4-fluorophenyl)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
CID 41527722

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 134803949) is 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(-c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UURWZTCJRRGOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-3-2-4-15(11-14)19(27)24-12-13-5-7-16(8-6-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134803949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).