2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide

C23H24BrN3O4 — CID 118957254

About 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide

2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 118957254) has the molecular formula C23H24BrN3O4 and a molecular weight of 486.37 g/mol. Its IUPAC name is 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 118957254
• Molecular Formula: C23H24BrN3O4
• Molecular Weight: 486.37 g/mol
• Exact Mass: 485.10
• IUPAC Name: 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide
• SMILES: CC(C1CC1)N(Cc1ccco1)C(=O)CN1C(=O)NC2(CCc3cc(Br)ccc32)C1=O
• InChI: InChI=1S/C23H24BrN3O4/c1-14(15-4-5-15)26(12-18-3-2-10-31-18)20(28)13-27-21(29)23(25-22(27)30)9-8-16-11-17(24)6-7-19(16)23/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3,(H,25,30)
• InChIKey: FNOAQGOZUCDLRW-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.37
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide (CID 118957254) is 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide.

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

The canonical SMILES for 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide is CC(C1CC1)N(Cc1ccco1)C(=O)CN1C(=O)NC2(CCc3cc(Br)ccc32)C1=O.

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

The InChIKey is FNOAQGOZUCDLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O4/c1-14(15-4-5-15)26(12-18-3-2-10-31-18)20(28)13-27-21(29)23(25-22(27)30)9-8-16-11-17(24)6-7-19(16)23/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3,(H,25,30).

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

2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 486.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 118957254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).