[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C22H21FN2O5 — CID 7710699

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7710699) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
• PubChem CID: 7710699
• Molecular Formula: C22H21FN2O5
• Molecular Weight: 412.42 g/mol
• Exact Mass: 412.14
• IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
• SMILES: Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)c3ccc(F)cc3)C2=O)cc1
• InChI: InChI=1S/C22H21FN2O5/c1-13-4-8-16(9-5-13)22(3)20(28)25(21(29)24-22)12-18(26)30-14(2)19(27)15-6-10-17(23)11-7-15/h4-11,14H,12H2,1-3H3,(H,24,29)/t14-,22-/m1/s1
• InChIKey: VJQBRGIADZLNCY-JLCFBVMHSA-N
• XLogP: 2.72
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
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 [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 7710699) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)c3ccc(F)cc3)C2=O)cc1.

What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

The InChIKey is VJQBRGIADZLNCY-JLCFBVMHSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-13-4-8-16(9-5-13)22(3)20(28)25(21(29)24-22)12-18(26)30-14(2)19(27)15-6-10-17(23)11-7-15/h4-11,14H,12H2,1-3H3,(H,24,29)/t14-,22-/m1/s1.

What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 412.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7710699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).