N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide

C23H23F7N4O4 — CID 171507305

About N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide

N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide (PubChem CID 171507305) has the molecular formula C23H23F7N4O4 and a molecular weight of 552.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide
• PubChem CID: 171507305
• Molecular Formula: C23H23F7N4O4
• Molecular Weight: 552.45 g/mol
• Exact Mass: 552.16
• IUPAC Name: N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide
• SMILES: CNCC(O)CN1CON(c2cc(C(F)(F)F)cc(C(F)(F)F)c2CC(=O)N(C)c2ccc(F)cc2)C1=O
• InChI: InChI=1S/C23H23F7N4O4/c1-31-10-16(35)11-33-12-38-34(21(33)37)19-8-13(22(25,26)27)7-18(23(28,29)30)17(19)9-20(36)32(2)15-5-3-14(24)4-6-15/h3-8,16,31,35H,9-12H2,1-2H3
• InChIKey: FKBRAMJOKBOIIN-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.45
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide (CID 171507305) is N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide is CNCC(O)CN1CON(c2cc(C(F)(F)F)cc(C(F)(F)F)c2CC(=O)N(C)c2ccc(F)cc2)C1=O.

What is the InChIKey of N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide?

The InChIKey is FKBRAMJOKBOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F7N4O4/c1-31-10-16(35)11-33-12-38-34(21(33)37)19-8-13(22(25,26)27)7-18(23(28,29)30)17(19)9-20(36)32(2)15-5-3-14(24)4-6-15/h3-8,16,31,35H,9-12H2,1-2H3.

What are the key properties of N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide?

N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide has a molecular weight of 552.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[2-[4-[2-hydroxy-3-(methylamino)propyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 171507305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).