Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

C₂₁H₂₄F₃N₂O₂+ — CID 8906875

About Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 8906875) has the molecular formula C₂₁H₂₄F₃N₂O₂+ and a molecular weight of 393.43 g/mol. Its IUPAC name is cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

• Compound Name: Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
• PubChem CID: 8906875
• Molecular Formula: C₂₁H₂₄F₃N₂O₂+
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.18
• IUPAC Name: cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
• SMILES: O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1ccc(OC(F)F)cc1
• InChI: InChI=1S/C21H23F3N2O2/c22-17-5-1-16(2-6-17)13-26(18-7-8-18)14-20(27)25-12-11-15-3-9-19(10-4-15)28-21(23)24/h1-6,9-10,18,21H,7-8,11-14H2,(H,25,27)/p+1
• InChIKey: VOZVPQQCSSONOS-UHFFFAOYSA-O
• XLogP: 2.33
• TPSA: 42.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?

The IUPAC name of Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (CID 8906875) is cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.

What is the SMILES notation for Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?

The canonical SMILES for Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1ccc(OC(F)F)cc1.

What is the InChIKey of Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?

The InChIKey is VOZVPQQCSSONOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23F3N2O2/c22-17-5-1-16(2-6-17)13-26(18-7-8-18)14-20(27)25-12-11-15-3-9-19(10-4-15)28-21(23)24/h1-6,9-10,18,21H,7-8,11-14H2,(H,25,27)/p+1.

What are the key properties of Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?

Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 393.43 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8906875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8906875 — identifiers, structure, computed properties (public domain)

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