N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C20H18BrN3O3 — CID 16552825

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

N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 16552825) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 16552825
• Molecular Formula: C20H18BrN3O3
• Molecular Weight: 428.29 g/mol
• Exact Mass: 427.05
• IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)ccc1Br
• InChI: InChI=1S/C20H18BrN3O3/c1-12-10-14(6-7-16(12)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)
• InChIKey: PPIZJQQFPYJZAD-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.29
LogP ≤ 5	3.09
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 N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 16552825) is N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)ccc1Br.

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

The InChIKey is PPIZJQQFPYJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-12-10-14(6-7-16(12)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27).

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

N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 428.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 16552825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).