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

C20H16F3N3O2 — CID 134801327

IUPAC4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-11-10-17(25-26-18)14-4-6-15(7-5-14)19(27)24-12-13-2-8-16(9-3-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyWKDALHHFHYAEPH-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.10
Rot. Bonds5

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

4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134801327) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134801327
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-11-10-17(25-26-18)14-4-6-15(7-5-14)19(27)24-12-13-2-8-16(9-3-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyWKDALHHFHYAEPH-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 134801327) is 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WKDALHHFHYAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-18-11-10-17(25-26-18)14-4-6-15(7-5-14)19(27)24-12-13-2-8-16(9-3-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-(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 4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134801327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).