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

C18H19F3N4O3 — CID 154825901

IUPACN-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
SMILESCC(=O)N(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C18H19F3N4O3/c1-11(26)24(2)6-7-28-15-5-3-4-12-9-25(10-13(12)15)14-8-22-23-17(27)16(14)18(19,20)21/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyZLFZROGJMSRZLA-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.87
Rot. Bonds5

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

N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide (PubChem CID 154825901) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
PubChem CID154825901
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
SMILESCC(=O)N(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C18H19F3N4O3/c1-11(26)24(2)6-7-28-15-5-3-4-12-9-25(10-13(12)15)14-8-22-23-17(27)16(14)18(19,20)21/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyZLFZROGJMSRZLA-UHFFFAOYSA-N
XLogP2.87
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide 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-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide (CID 154825901) is N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide is CC(=O)N(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
The InChIKey is ZLFZROGJMSRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11(26)24(2)6-7-28-15-5-3-4-12-9-25(10-13(12)15)14-8-22-23-17(27)16(14)18(19,20)21/h3-5,8,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide?
N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 154825901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).