N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C23H23F2N3O4 — CID 41197779

About N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 41197779) has the molecular formula C23H23F2N3O4 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• PubChem CID: 41197779
• Molecular Formula: C23H23F2N3O4
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.17
• IUPAC Name: N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1
• InChI: InChI=1S/C23H23F2N3O4/c1-23(15-5-10-18(24)19(25)11-15)21(30)28(22(31)26-23)13-20(29)27(16-6-7-16)12-14-3-8-17(32-2)9-4-14/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,26,31)/t23-/m1/s1
• InChIKey: DSSMETTWIQIGOL-HSZRJFAPSA-N
• XLogP: 2.93
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
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-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?

The IUPAC name of N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 41197779) is N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?

The canonical SMILES for N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?

The InChIKey is DSSMETTWIQIGOL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23F2N3O4/c1-23(15-5-10-18(24)19(25)11-15)21(30)28(22(31)26-23)13-20(29)27(16-6-7-16)12-14-3-8-17(32-2)9-4-14/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,26,31)/t23-/m1/s1.

What are the key properties of N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?

N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 443.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 41197779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).