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

C27H26ClN3O5 — CID 143528362

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (PubChem CID 143528362) has the molecular formula C27H26ClN3O5 and a molecular weight of 507.97 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• PubChem CID: 143528362
• Molecular Formula: C27H26ClN3O5
• Molecular Weight: 507.97 g/mol
• Exact Mass: 507.16
• IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• SMILES: Cc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(Cl)c1
• InChI: InChI=1S/C27H26ClN3O5/c1-17-7-12-22(21(28)15-17)29-25(33)23(16-18-5-3-2-4-6-18)31-26(34)24(30-27(31)35)19-8-10-20(11-9-19)36-14-13-32/h2-12,15,23-24,32H,13-14,16H2,1H3,(H,29,33)(H,30,35)/t23?,24-/m1/s1
• InChIKey: JSHCCWAHUMYDEG-XMMISQBUSA-N
• XLogP: 3.86
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.97
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide?

The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (CID 143528362) is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

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

The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is Cc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(Cl)c1.

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

The InChIKey is JSHCCWAHUMYDEG-XMMISQBUSA-N. The full InChI is InChI=1S/C27H26ClN3O5/c1-17-7-12-22(21(28)15-17)29-25(33)23(16-18-5-3-2-4-6-18)31-26(34)24(30-27(31)35)19-8-10-20(11-9-19)36-14-13-32/h2-12,15,23-24,32H,13-14,16H2,1H3,(H,29,33)(H,30,35)/t23?,24-/m1/s1.

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide has a molecular weight of 507.97 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 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-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 143528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).