[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

C23H24FNO5 — CID 24531540

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate (PubChem CID 24531540) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
• PubChem CID: 24531540
• Molecular Formula: C23H24FNO5
• Molecular Weight: 413.45 g/mol
• Exact Mass: 413.16
• IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
• SMILES: O=C(COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)NCc1ccccc1F
• InChI: InChI=1S/C23H24FNO5/c24-18-6-2-1-5-16(18)14-25-21(26)15-30-22(27)23(9-3-4-10-23)17-7-8-19-20(13-17)29-12-11-28-19/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,25,26)
• InChIKey: PVRURTUOYXNLKG-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 73.86 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	413.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate?

The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate (CID 24531540) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate.

What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate?

The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)NCc1ccccc1F.

What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate?

The InChIKey is PVRURTUOYXNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO5/c24-18-6-2-1-5-16(18)14-25-21(26)15-30-22(27)23(9-3-4-10-23)17-7-8-19-20(13-17)29-12-11-28-19/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,25,26).

What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate?

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate has a molecular weight of 413.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 24531540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).