2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C19H13F4N3O2 — CID 70451363

IUPAC2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H13F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1-10H,11H2,(H,24,26,27)
InChIKeyGKUJEJHXUWRPCK-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.47
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 70451363) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID70451363
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H13F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1-10H,11H2,(H,24,26,27)
InChIKeyGKUJEJHXUWRPCK-UHFFFAOYSA-N
XLogP4.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 51357233
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-Fluoro-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 68107702
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511660
5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511739
2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
CID 155514319
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
CID 155516354

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 70451363) is 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is GKUJEJHXUWRPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1-10H,11H2,(H,24,26,27).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 391.32 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70451363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).