N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

C16H15F3N4O2 — CID 154825941

IUPACN-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12,14H,6,8H2,1H3,(H,20,24)
InChIKeyIYXZULLBXRIKML-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.69
Rot. Bonds3

About N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (PubChem CID 154825941) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
PubChem CID154825941
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12,14H,6,8H2,1H3,(H,20,24)
InChIKeyIYXZULLBXRIKML-UHFFFAOYSA-N
XLogP2.69
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide with MolForge

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Related Compounds

N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
US10550105, Example 23
CID 154825691
US10550105, Example 24
CID 154825692
US10550105, Example 25
CID 154825693
US10550105, Example 160
CID 154825838
US10550105, Example 169
CID 154825847
US10550105, Example 179
CID 154825857
US10550105, Example 180
CID 154825858
US10550105, Example 322
CID 154825997
US10550105, Example 327
CID 154826002
US10550105, Example 221
CID 154825898
US10550105, Example 262
CID 154825939

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The IUPAC name of N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (CID 154825941) is N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is CC(=O)NCC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F.
What is the InChIKey of N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The InChIKey is IYXZULLBXRIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12,14H,6,8H2,1H3,(H,20,24).
What are the key properties of N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide has a molecular weight of 352.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is sourced from PubChem (CID 154825941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).