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

C20H16F3N3O2 — CID 134801069

IUPAC4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-5-7-15(8-6-14)19(27)24-12-13-3-2-4-16(11-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyFVCPHGLVIYRJNI-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.10
Rot. Bonds5

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

4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134801069) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134801069
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nn1
InChIInChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-5-7-15(8-6-14)19(27)24-12-13-3-2-4-16(11-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyFVCPHGLVIYRJNI-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-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 134801069) is 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is FVCPHGLVIYRJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-18-10-9-17(25-26-18)14-5-7-15(8-6-14)19(27)24-12-13-3-2-4-16(11-13)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-(6-methoxypyridazin-3-yl)-N-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134801069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).