N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H23F2N3O5 — CID 95769523

About N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 95769523) has the molecular formula C22H23F2N3O5 and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 95769523
• Molecular Formula: C22H23F2N3O5
• Molecular Weight: 447.44 g/mol
• Exact Mass: 447.16
• IUPAC Name: N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)C2=O)cc1
• InChI: InChI=1S/C22H23F2N3O5/c1-21(31,16-9-6-14(23)10-17(16)24)12-25-18(28)11-27-19(29)22(2,26-20(27)30)13-4-7-15(32-3)8-5-13/h4-10,31H,11-12H2,1-3H3,(H,25,28)(H,26,30)/t21-,22-/m1/s1
• InChIKey: IYXUVHXMHFKKKJ-FGZHOGPDSA-N
• XLogP: 1.76
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.44
LogP ≤ 5	1.76
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-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 95769523) is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)C2=O)cc1.

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

The InChIKey is IYXUVHXMHFKKKJ-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H23F2N3O5/c1-21(31,16-9-6-14(23)10-17(16)24)12-25-18(28)11-27-19(29)22(2,26-20(27)30)13-4-7-15(32-3)8-5-13/h4-10,31H,11-12H2,1-3H3,(H,25,28)(H,26,30)/t21-,22-/m1/s1.

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

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 447.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 95769523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).