2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide

C24H19FN4O4 — CID 55713887

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide (PubChem CID 55713887) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide
• PubChem CID: 55713887
• Molecular Formula: C24H19FN4O4
• Molecular Weight: 446.44 g/mol
• Exact Mass: 446.14
• IUPAC Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide
• SMILES: O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1ccc(Oc2ccc(F)cc2)nc1
• InChI: InChI=1S/C24H19FN4O4/c25-16-5-8-18(9-6-16)33-21-10-7-17(13-26-21)27-20(30)14-29-22(31)24(28-23(29)32)12-11-15-3-1-2-4-19(15)24/h1-10,13H,11-12,14H2,(H,27,30)(H,28,32)
• InChIKey: UKQSZSJCHBZKEN-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide (CID 55713887) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1ccc(Oc2ccc(F)cc2)nc1.

What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide?

The InChIKey is UKQSZSJCHBZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-16-5-8-18(9-6-16)33-21-10-7-17(13-26-21)27-20(30)14-29-22(31)24(28-23(29)32)12-11-15-3-1-2-4-19(15)24/h1-10,13H,11-12,14H2,(H,27,30)(H,28,32).

What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide?

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide has a molecular weight of 446.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-[6-(4-fluorophenoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 55713887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).