2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide

C30H31F2N3O5 — CID 98419931

About 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide

2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide (PubChem CID 98419931) has the molecular formula C30H31F2N3O5 and a molecular weight of 551.59 g/mol. Its IUPAC name is 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
• PubChem CID: 98419931
• Molecular Formula: C30H31F2N3O5
• Molecular Weight: 551.59 g/mol
• Exact Mass: 551.22
• IUPAC Name: 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide
• SMILES: CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)cc2)cc1
• InChI: InChI=1S/C30H31F2N3O5/c1-5-29(2,3)19-6-12-22(13-7-19)39-23-16-10-21(11-17-23)33-25(36)18-35-26(37)30(4,34-28(35)38)20-8-14-24(15-9-20)40-27(31)32/h6-17,27H,5,18H2,1-4H3,(H,33,36)(H,34,38)/t30-/m1/s1
• InChIKey: RSAYHTBEIQEXCN-SSEXGKCCSA-N
• XLogP: 6.17
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.59
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
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 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide?

The IUPAC name of 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide (CID 98419931) is 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide?

The canonical SMILES for 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)cc2)cc1.

What is the InChIKey of 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide?

The InChIKey is RSAYHTBEIQEXCN-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H31F2N3O5/c1-5-29(2,3)19-6-12-22(13-7-19)39-23-16-10-21(11-17-23)33-25(36)18-35-26(37)30(4,34-28(35)38)20-8-14-24(15-9-20)40-27(31)32/h6-17,27H,5,18H2,1-4H3,(H,33,36)(H,34,38)/t30-/m1/s1.

What are the key properties of 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide?

2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide has a molecular weight of 551.59 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 98419931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).