N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

C23H28F6N2O2 — CID 71523060

About N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (PubChem CID 71523060) has the molecular formula C23H28F6N2O2 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
• PubChem CID: 71523060
• Molecular Formula: C23H28F6N2O2
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.21
• IUPAC Name: N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
• SMILES: O=C(NC1CC1)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC(F)(F)C(F)(F)F)CC2)cc1F
• InChI: InChI=1S/C23H28F6N2O2/c24-20-12-17(3-4-18(20)21(32)30-16-1-2-16)33-10-7-15-11-19(15)14-5-8-31(9-6-14)13-22(25,26)23(27,28)29/h3-4,12,14-16,19H,1-2,5-11,13H2,(H,30,32)/t15-,19-/m1/s1
• InChIKey: VDMSFAIDOZTDBI-DNVCBOLYSA-N
• XLogP: 5.03
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?

The IUPAC name of N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (CID 71523060) is N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.

What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?

The canonical SMILES for N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is O=C(NC1CC1)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC(F)(F)C(F)(F)F)CC2)cc1F.

What is the InChIKey of N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?

The InChIKey is VDMSFAIDOZTDBI-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H28F6N2O2/c24-20-12-17(3-4-18(20)21(32)30-16-1-2-16)33-10-7-15-11-19(15)14-5-8-31(9-6-14)13-22(25,26)23(27,28)29/h3-4,12,14-16,19H,1-2,5-11,13H2,(H,30,32)/t15-,19-/m1/s1.

What are the key properties of N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?

N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide has a molecular weight of 478.48 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is sourced from PubChem (CID 71523060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).