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

C22H22FN3O3 — CID 18201411

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

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 18201411) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
• PubChem CID: 18201411
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
• SMILES: CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C22H22FN3O3/c1-2-25(13-15-6-5-8-17(23)12-15)19(27)14-26-20(28)22(24-21(26)29)11-10-16-7-3-4-9-18(16)22/h3-9,12H,2,10-11,13-14H2,1H3,(H,24,29)
• InChIKey: JWZNONKGEOCCPL-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
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[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 18201411) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?

The InChIKey is JWZNONKGEOCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-2-25(13-15-6-5-8-17(23)12-15)19(27)14-26-20(28)22(24-21(26)29)11-10-16-7-3-4-9-18(16)22/h3-9,12H,2,10-11,13-14H2,1H3,(H,24,29).

What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 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-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18201411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).