N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H22ClN3O4 — CID 7566403

About N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7566403) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 7566403
• Molecular Formula: C21H22ClN3O4
• Molecular Weight: 415.88 g/mol
• Exact Mass: 415.13
• IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O
• InChI: InChI=1S/C21H22ClN3O4/c1-13-8-9-15(22)10-16(13)23-18(26)12-25-19(27)21(2,24-20(25)28)11-14-6-4-5-7-17(14)29-3/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m1/s1
• InChIKey: UMXYGKLTNQUREL-OAQYLSRUSA-N
• XLogP: 3.15
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.88
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7566403) is N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O.

What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is UMXYGKLTNQUREL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-13-8-9-15(22)10-16(13)23-18(26)12-25-19(27)21(2,24-20(25)28)11-14-6-4-5-7-17(14)29-3/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m1/s1.

What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 415.88 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methylphenyl)-2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7566403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).