N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C23H24ClN3O7 — CID 24571912

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 24571912) has the molecular formula C23H24ClN3O7 and a molecular weight of 489.91 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 24571912
• Molecular Formula: C23H24ClN3O7
• Molecular Weight: 489.91 g/mol
• Exact Mass: 489.13
• IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1cc(OC)c(NC(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCCCO4)C2=O)cc1Cl
• InChI: InChI=1S/C23H24ClN3O7/c1-23(13-5-6-16-19(9-13)34-8-4-7-33-16)21(29)27(22(30)26-23)12-20(28)25-15-10-14(24)17(31-2)11-18(15)32-3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,25,28)(H,26,30)
• InChIKey: CBNGKOLIDBUQSU-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.91
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 24571912) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cc(OC)c(NC(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCCCO4)C2=O)cc1Cl.

What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is CBNGKOLIDBUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O7/c1-23(13-5-6-16-19(9-13)34-8-4-7-33-16)21(29)27(22(30)26-23)12-20(28)25-15-10-14(24)17(31-2)11-18(15)32-3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,25,28)(H,26,30).

What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 489.91 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24571912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).