acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one

C18H15F3N2O3 — CID 156895583

IUPACacetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one
SMILESCC(N)=O.Nc1cccc2c1C(=O)C1c3ccc(C(F)(F)F)cc3OC21
InChIInChI=1S/C16H10F3NO2.C2H5NO/c17-16(18,19)7-4-5-8-11(6-7)22-15-9-2-1-3-10(20)12(9)14(21)13(8)15;1-2(3)4/h1-6,13,15H,20H2;1H3,(H2,3,4)
InChIKeyMCJWPHXDXYWCHU-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.19
Rot. Bonds

About acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one

acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one (PubChem CID 156895583) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Nameacetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one
PubChem CID156895583
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Nameacetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one
SMILESCC(N)=O.Nc1cccc2c1C(=O)C1c3ccc(C(F)(F)F)cc3OC21
InChIInChI=1S/C16H10F3NO2.C2H5NO/c17-16(18,19)7-4-5-8-11(6-7)22-15-9-2-1-3-10(20)12(9)14(21)13(8)15;1-2(3)4/h1-6,13,15H,20H2;1H3,(H2,3,4)
InChIKeyMCJWPHXDXYWCHU-UHFFFAOYSA-N
XLogP3.19
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one 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 acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one (CID 156895583) is acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one is CC(N)=O.Nc1cccc2c1C(=O)C1c3ccc(C(F)(F)F)cc3OC21.
What is the InChIKey of acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is MCJWPHXDXYWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2.C2H5NO/c17-16(18,19)7-4-5-8-11(6-7)22-15-9-2-1-3-10(20)12(9)14(21)13(8)15;1-2(3)4/h1-6,13,15H,20H2;1H3,(H2,3,4).
What are the key properties of acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one?
acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 364.32 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 156895583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).