2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide

C19H22F4N4O3 — CID 55792890

About 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide

2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide (PubChem CID 55792890) has the molecular formula C19H22F4N4O3 and a molecular weight of 430.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide
• PubChem CID: 55792890
• Molecular Formula: C19H22F4N4O3
• Molecular Weight: 430.40 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide
• SMILES: Cn1ccnc1C(O)(CCNC(=O)N1CCOC(c2ccc(F)cc2)C1)C(F)(F)F
• InChI: InChI=1S/C19H22F4N4O3/c1-26-9-8-24-16(26)18(29,19(21,22)23)6-7-25-17(28)27-10-11-30-15(12-27)13-2-4-14(20)5-3-13/h2-5,8-9,15,29H,6-7,10-12H2,1H3,(H,25,28)
• InChIKey: VCZYECDVTSDONA-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.40
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide (CID 55792890) is 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide is Cn1ccnc1C(O)(CCNC(=O)N1CCOC(c2ccc(F)cc2)C1)C(F)(F)F.

What is the InChIKey of 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide?

The InChIKey is VCZYECDVTSDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4O3/c1-26-9-8-24-16(26)18(29,19(21,22)23)6-7-25-17(28)27-10-11-30-15(12-27)13-2-4-14(20)5-3-13/h2-5,8-9,15,29H,6-7,10-12H2,1H3,(H,25,28).

What are the key properties of 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide?

2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 55792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).