N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C27H24BrCl2N3O5 — CID 166347628

About N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 166347628) has the molecular formula C27H24BrCl2N3O5 and a molecular weight of 621.32 g/mol. Its IUPAC name is N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 166347628
• Molecular Formula: C27H24BrCl2N3O5
• Molecular Weight: 621.32 g/mol
• Exact Mass: 619.03
• IUPAC Name: N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(Br)cc3Oc3cc(Cl)cc(Cl)c3)C2=O)cc1
• InChI: InChI=1S/C27H24BrCl2N3O5/c1-27(17-5-8-21(37-3)9-6-17)25(35)33(26(36)31-27)15-24(34)32(2)14-16-4-7-18(28)10-23(16)38-22-12-19(29)11-20(30)13-22/h4-13H,14-15H2,1-3H3,(H,31,36)
• InChIKey: HTEUCSSJVHMSLK-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.32
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
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 N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 166347628) is N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(Br)cc3Oc3cc(Cl)cc(Cl)c3)C2=O)cc1.

What is the InChIKey of N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is HTEUCSSJVHMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrCl2N3O5/c1-27(17-5-8-21(37-3)9-6-17)25(35)33(26(36)31-27)15-24(34)32(2)14-16-4-7-18(28)10-23(16)38-22-12-19(29)11-20(30)13-22/h4-13H,14-15H2,1-3H3,(H,31,36).

What are the key properties of N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 621.32 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 166347628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).