2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C21H18F3N3O3 — CID 4790662

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)15-6-3-4-13(10-15)11-25-17(28)12-27-18(29)20(26-19(27)30)9-8-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,25,28)(H,26,30)
InChIKeyCHCXQSYCWSSIOX-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.72
Rot. Bonds4

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 4790662) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID4790662
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)15-6-3-4-13(10-15)11-25-17(28)12-27-18(29)20(26-19(27)30)9-8-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,25,28)(H,26,30)
InChIKeyCHCXQSYCWSSIOX-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]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 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 4790662) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CHCXQSYCWSSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)15-6-3-4-13(10-15)11-25-17(28)12-27-18(29)20(26-19(27)30)9-8-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,25,28)(H,26,30).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 417.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 4790662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).