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

C15H13F3N4O2 — CID 154825857

IUPACN-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C15H13F3N4O2/c1-8(23)20-11-4-2-3-9-6-22(7-10(9)11)12-5-19-21-14(24)13(12)15(16,17)18/h2-5,13H,6-7H2,1H3,(H,20,23)
InChIKeyKSJBXYCUOKWDJI-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.97
Rot. Bonds2

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

N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide (PubChem CID 154825857) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide
PubChem CID154825857
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC NameN-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C15H13F3N4O2/c1-8(23)20-11-4-2-3-9-6-22(7-10(9)11)12-5-19-21-14(24)13(12)15(16,17)18/h2-5,13H,6-7H2,1H3,(H,20,23)
InChIKeyKSJBXYCUOKWDJI-UHFFFAOYSA-N
XLogP2.97
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-N-cyclopropyl-1-(2,3-dihydro-1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323976
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24981557
1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18885960
1-(2-ethyl-6-methylphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 68365625
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954745
US10550105, Example 178
CID 154825856
US10550105, Example 215
CID 154825892
US10550105, Example 281
CID 154825958
US10550105, Example 282
CID 154825959
US10550105, Example 284
CID 154825961
US10550105, Example 285
CID 154825962
US10550105, Example 301
CID 154825976

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide?
The IUPAC name of N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide (CID 154825857) is N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide?
The InChIKey is KSJBXYCUOKWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-8(23)20-11-4-2-3-9-6-22(7-10(9)11)12-5-19-21-14(24)13(12)15(16,17)18/h2-5,13H,6-7H2,1H3,(H,20,23).
What are the key properties of N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide?
N-[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-4-yl]acetamide has a molecular weight of 338.29 g/mol, XLogP of 2.97, 2 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-4-yl]acetamide is sourced from PubChem (CID 154825857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).