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

C22H20F3N3O3 — CID 24536930

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 24536930) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
• PubChem CID: 24536930
• Molecular Formula: C22H20F3N3O3
• Molecular Weight: 431.41 g/mol
• Exact Mass: 431.15
• IUPAC Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
• SMILES: O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C22H20F3N3O3/c23-22(24,25)16-8-3-5-14(11-16)12-26-18(29)13-28-19(30)21(27-20(28)31)10-4-7-15-6-1-2-9-17(15)21/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,26,29)(H,27,31)
• InChIKey: GNTPMWWYFAEAKU-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.41
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 24536930) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?

The InChIKey is GNTPMWWYFAEAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)16-8-3-5-14(11-16)12-26-18(29)13-28-19(30)21(27-20(28)31)10-4-7-15-6-1-2-9-17(15)21/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,26,29)(H,27,31).

What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 431.41 g/mol, XLogP of 3.11, 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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24536930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).