4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide

C22H20F3N3O2 — CID 139236211

IUPAC4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(C(=O)NC(C)C)cc2)nn1
InChIInChI=1S/C22H20F3N3O2/c1-13(2)26-20(29)15-7-9-18(10-8-15)30-21-19(11-14(3)27-28-21)16-5-4-6-17(12-16)22(23,24)25/h4-13H,1-3H3,(H,26,29)
InChIKeyXEVJNVWLCGTPDF-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.40
Rot. Bonds5

About 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide

4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide (PubChem CID 139236211) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
PubChem CID139236211
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(C(=O)NC(C)C)cc2)nn1
InChIInChI=1S/C22H20F3N3O2/c1-13(2)26-20(29)15-7-9-18(10-8-15)30-21-19(11-14(3)27-28-21)16-5-4-6-17(12-16)22(23,24)25/h4-13H,1-3H3,(H,26,29)
InChIKeyXEVJNVWLCGTPDF-UHFFFAOYSA-N
XLogP5.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]pyridazine-3-carboxamide
CID 122362847
(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone
CID 138377580
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
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
2-(4-fluorophenyl)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
CID 41527722
N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-naphthamide
CID 41527745
N-(4-fluorobenzyl)-3-((6-methylpyridazin-3-yl)oxy)benzamide
CID 52416946
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
CID 95877842
2-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134800732
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide (CID 139236211) is 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(C(=O)NC(C)C)cc2)nn1.
What is the InChIKey of 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide?
The InChIKey is XEVJNVWLCGTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13(2)26-20(29)15-7-9-18(10-8-15)30-21-19(11-14(3)27-28-21)16-5-4-6-17(12-16)22(23,24)25/h4-13H,1-3H3,(H,26,29).
What are the key properties of 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide?
4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide has a molecular weight of 415.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 139236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).