N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide

C23H22F3N3O2 — CID 139236209

IUPACN,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide
SMILESCCN(CC)C(=O)c1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H22F3N3O2/c1-4-29(5-2)22(30)16-9-11-19(12-10-16)31-21-20(13-15(3)27-28-21)17-7-6-8-18(14-17)23(24,25)26/h6-14H,4-5H2,1-3H3
InChIKeyFRTYVSYGDXTPTK-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.75
Rot. Bonds6

About N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide

N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide (PubChem CID 139236209) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide
PubChem CID139236209
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide
SMILESCCN(CC)C(=O)c1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H22F3N3O2/c1-4-29(5-2)22(30)16-9-11-19(12-10-16)31-21-20(13-15(3)27-28-21)17-7-6-8-18(14-17)23(24,25)26/h6-14H,4-5H2,1-3H3
InChIKeyFRTYVSYGDXTPTK-UHFFFAOYSA-N
XLogP5.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide?
The IUPAC name of N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide (CID 139236209) is N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide.
What is the SMILES notation for N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide?
The canonical SMILES for N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide is CCN(CC)C(=O)c1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide?
The InChIKey is FRTYVSYGDXTPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-4-29(5-2)22(30)16-9-11-19(12-10-16)31-21-20(13-15(3)27-28-21)17-7-6-8-18(14-17)23(24,25)26/h6-14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide?
N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide has a molecular weight of 429.44 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide is sourced from PubChem (CID 139236209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).