N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide

C27H25ClIN3O5 — CID 68618814

About N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide

N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (PubChem CID 68618814) has the molecular formula C27H25ClIN3O5 and a molecular weight of 633.87 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• PubChem CID: 68618814
• Molecular Formula: C27H25ClIN3O5
• Molecular Weight: 633.87 g/mol
• Exact Mass: 633.05
• IUPAC Name: N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• SMILES: COCCOc1ccc(C2NC(=O)N(C(Cc3ccccc3)C(=O)Nc3ccc(I)cc3Cl)C2=O)cc1
• InChI: InChI=1S/C27H25ClIN3O5/c1-36-13-14-37-20-10-7-18(8-11-20)24-26(34)32(27(35)31-24)23(15-17-5-3-2-4-6-17)25(33)30-22-12-9-19(29)16-21(22)28/h2-12,16,23-24H,13-15H2,1H3,(H,30,33)(H,31,35)
• InChIKey: QPLRHFPAGZYHKB-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.87
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide?

The IUPAC name of N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (CID 68618814) is N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide?

The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is COCCOc1ccc(C2NC(=O)N(C(Cc3ccccc3)C(=O)Nc3ccc(I)cc3Cl)C2=O)cc1.

What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide?

The InChIKey is QPLRHFPAGZYHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClIN3O5/c1-36-13-14-37-20-10-7-18(8-11-20)24-26(34)32(27(35)31-24)23(15-17-5-3-2-4-6-17)25(33)30-22-12-9-19(29)16-21(22)28/h2-12,16,23-24H,13-15H2,1H3,(H,30,33)(H,31,35).

What are the key properties of N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide?

N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide has a molecular weight of 633.87 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 68618814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).