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

C28H28ClN3O5 — CID 143528439

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (PubChem CID 143528439) has the molecular formula C28H28ClN3O5 and a molecular weight of 522.00 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• PubChem CID: 143528439
• Molecular Formula: C28H28ClN3O5
• Molecular Weight: 522.00 g/mol
• Exact Mass: 521.17
• IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• SMILES: COCCOc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3)C(=O)Nc3ccc(C)cc3Cl)C2=O)cc1
• InChI: InChI=1S/C28H28ClN3O5/c1-18-8-13-23(22(29)16-18)30-26(33)24(17-19-6-4-3-5-7-19)32-27(34)25(31-28(32)35)20-9-11-21(12-10-20)37-15-14-36-2/h3-13,16,24-25H,14-15,17H2,1-2H3,(H,30,33)(H,31,35)/t24?,25-/m1/s1
• InChIKey: FVBLWDSMLMGXHB-WUBHUQEYSA-N
• XLogP: 4.52
• 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	522.00
LogP ≤ 5	4.52
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'}

Frequently Asked Questions

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

The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (CID 143528439) is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

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

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

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

The InChIKey is FVBLWDSMLMGXHB-WUBHUQEYSA-N. The full InChI is InChI=1S/C28H28ClN3O5/c1-18-8-13-23(22(29)16-18)30-26(33)24(17-19-6-4-3-5-7-19)32-27(34)25(31-28(32)35)20-9-11-21(12-10-20)37-15-14-36-2/h3-13,16,24-25H,14-15,17H2,1-2H3,(H,30,33)(H,31,35)/t24?,25-/m1/s1.

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide has a molecular weight of 522.00 g/mol, XLogP of 4.52, 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-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 143528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).