2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C25H19F2N3O5 — CID 40774800

About 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 40774800) has the molecular formula C25H19F2N3O5 and a molecular weight of 479.44 g/mol. Its IUPAC name is 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 40774800
• Molecular Formula: C25H19F2N3O5
• Molecular Weight: 479.44 g/mol
• Exact Mass: 479.13
• IUPAC Name: 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccc(F)cc1
• InChI: InChI=1S/C25H19F2N3O5/c26-16-2-6-18(7-3-16)28-23(31)12-20-24(32)30(19-8-4-17(27)5-9-19)25(33)29(20)13-15-1-10-21-22(11-15)35-14-34-21/h1-11,20H,12-14H2,(H,28,31)/t20-/m1/s1
• InChIKey: GLKARHJTUBAFNS-HXUWFJFHSA-N
• XLogP: 4.06
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.44
LogP ≤ 5	4.06
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 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 40774800) is 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccc(F)cc1.

What is the InChIKey of 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is GLKARHJTUBAFNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H19F2N3O5/c26-16-2-6-18(7-3-16)28-23(31)12-20-24(32)30(19-8-4-17(27)5-9-19)25(33)29(20)13-15-1-10-21-22(11-15)35-14-34-21/h1-11,20H,12-14H2,(H,28,31)/t20-/m1/s1.

What are the key properties of 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?

2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 479.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 40774800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).