2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide

C24H22BrClN4O6 — CID 126379649

About 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide

2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 126379649) has the molecular formula C24H22BrClN4O6 and a molecular weight of 577.82 g/mol. Its IUPAC name is 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
• PubChem CID: 126379649
• Molecular Formula: C24H22BrClN4O6
• Molecular Weight: 577.82 g/mol
• Exact Mass: 576.04
• IUPAC Name: 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
• SMILES: O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22BrClN4O6/c25-18-11-15(1-6-20(18)36-14-22(32)29-7-9-35-10-8-29)12-19-23(33)30(24(34)28-19)13-21(31)27-17-4-2-16(26)3-5-17/h1-6,11-12H,7-10,13-14H2,(H,27,31)(H,28,34)/b19-12-
• InChIKey: DVODVEAICUKDEY-UNOMPAQXSA-N
• XLogP: 2.87
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.82
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?

The IUPAC name of 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide (CID 126379649) is 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide.

What is the SMILES notation for 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?

The canonical SMILES for 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide is O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?

The InChIKey is DVODVEAICUKDEY-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H22BrClN4O6/c25-18-11-15(1-6-20(18)36-14-22(32)29-7-9-35-10-8-29)12-19-23(33)30(24(34)28-19)13-21(31)27-17-4-2-16(26)3-5-17/h1-6,11-12H,7-10,13-14H2,(H,27,31)(H,28,34)/b19-12-.

What are the key properties of 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide?

2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 577.82 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 126379649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).