2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide

C21H21Cl2N3O4 — CID 46810453

About 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 46810453) has the molecular formula C21H21Cl2N3O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
• PubChem CID: 46810453
• Molecular Formula: C21H21Cl2N3O4
• Molecular Weight: 450.32 g/mol
• Exact Mass: 449.09
• IUPAC Name: 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
• SMILES: Cc1cccc(OCCNC(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)c1
• InChI: InChI=1S/C21H21Cl2N3O4/c1-13-4-3-5-15(10-13)30-9-8-24-18(27)12-26-19(28)21(2,25-20(26)29)16-7-6-14(22)11-17(16)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,29)
• InChIKey: LISJRNUNGIBPQI-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.32
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?

The IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 46810453) is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide.

What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?

The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)c1.

What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?

The InChIKey is LISJRNUNGIBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4/c1-13-4-3-5-15(10-13)30-9-8-24-18(27)12-26-19(28)21(2,25-20(26)29)16-7-6-14(22)11-17(16)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,29).

What are the key properties of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide?

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 450.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 46810453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).