3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C20H18F3N3O2 — CID 6623415

IUPAC3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-7-4-8-16(13-15)24-18(27)11-12-26-19(28)10-9-17(25-26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,27)
InChIKeyNYSYZDLFRZOQAE-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.06
Rot. Bonds5

About 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 6623415) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID6623415
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-7-4-8-16(13-15)24-18(27)11-12-26-19(28)10-9-17(25-26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,27)
InChIKeyNYSYZDLFRZOQAE-UHFFFAOYSA-N
XLogP4.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 6623415) is 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCN1N=C(c2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NYSYZDLFRZOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-7-4-8-16(13-15)24-18(27)11-12-26-19(28)10-9-17(25-26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,27).
What are the key properties of 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 389.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 6623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).