N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide

C23H21F3N2O5 — CID 51134943

About N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide

N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide (PubChem CID 51134943) has the molecular formula C23H21F3N2O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide
• PubChem CID: 51134943
• Molecular Formula: C23H21F3N2O5
• Molecular Weight: 462.42 g/mol
• Exact Mass: 462.14
• IUPAC Name: N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide
• SMILES: O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC(O)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C23H21F3N2O5/c24-23(25,26)22(31,16-6-2-1-3-7-16)11-12-27-20(29)15-33-18-9-4-8-17(14-18)28-21(30)19-10-5-13-32-19/h1-10,13-14,31H,11-12,15H2,(H,27,29)(H,28,30)
• InChIKey: XNLXRSBMRGXTGV-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 100.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide (CID 51134943) is N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC(O)(c1ccccc1)C(F)(F)F.

What is the InChIKey of N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide?

The InChIKey is XNLXRSBMRGXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5/c24-23(25,26)22(31,16-6-2-1-3-7-16)11-12-27-20(29)15-33-18-9-4-8-17(14-18)28-21(30)19-10-5-13-32-19/h1-10,13-14,31H,11-12,15H2,(H,27,29)(H,28,30).

What are the key properties of N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide?

N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51134943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).