2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

C20H18BrN3O4 — CID 16632810

About 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 16632810) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
• PubChem CID: 16632810
• Molecular Formula: C20H18BrN3O4
• Molecular Weight: 444.29 g/mol
• Exact Mass: 443.05
• IUPAC Name: 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
• SMILES: CCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccc(Br)c3)C2=O)cc1
• InChI: InChI=1S/C20H18BrN3O4/c1-2-28-16-8-6-15(7-9-16)22-18(25)12-24-19(26)17(23-20(24)27)11-13-4-3-5-14(21)10-13/h3-11H,2,12H2,1H3,(H,22,25)(H,23,27)/b17-11-
• InChIKey: FONKUDAOJDRUOE-BOPFTXTBSA-N
• XLogP: 3.38
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.29
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?

The IUPAC name of 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 16632810) is 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

What is the SMILES notation for 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?

The canonical SMILES for 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccc(Br)c3)C2=O)cc1.

What is the InChIKey of 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?

The InChIKey is FONKUDAOJDRUOE-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c1-2-28-16-8-6-15(7-9-16)22-18(25)12-24-19(26)17(23-20(24)27)11-13-4-3-5-14(21)10-13/h3-11H,2,12H2,1H3,(H,22,25)(H,23,27)/b17-11-.

What are the key properties of 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?

2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 444.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 16632810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).