2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide

C23H20F3N3O3 — CID 55876072

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)cc2)c1
InChIInChI=1S/C23H20F3N3O3/c1-14-3-2-4-18(11-14)32-17-9-7-16(8-10-17)27-21(30)13-29-22(31)19(23(24,25)26)12-20(28-29)15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,27,30)
InChIKeyZEYTZVLSZUXEPP-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.88
Rot. Bonds6

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide (PubChem CID 55876072) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
PubChem CID55876072
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)cc2)c1
InChIInChI=1S/C23H20F3N3O3/c1-14-3-2-4-18(11-14)32-17-9-7-16(8-10-17)27-21(30)13-29-22(31)19(23(24,25)26)12-20(28-29)15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,27,30)
InChIKeyZEYTZVLSZUXEPP-UHFFFAOYSA-N
XLogP4.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 55875429
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55874532
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
CID 55875040
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 55875562
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55875296
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
2-[1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 166267199
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875043
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-[4-(3-methylphenoxy)phenyl]-2-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 100623739

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide (CID 55876072) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccc(NC(=O)Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)cc2)c1.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is ZEYTZVLSZUXEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-14-3-2-4-18(11-14)32-17-9-7-16(8-10-17)27-21(30)13-29-22(31)19(23(24,25)26)12-20(28-29)15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,27,30).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 55876072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).