2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide

C23H24F3NO2 — CID 15737565

About 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide (PubChem CID 15737565) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide
• PubChem CID: 15737565
• Molecular Formula: C23H24F3NO2
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.18
• IUPAC Name: 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide
• SMILES: C=CC[C@@H](/C=C/c1ccccc1)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F
• InChI: InChI=1S/C23H24F3NO2/c1-3-10-20(16-15-18-11-6-4-7-12-18)29-21(19-13-8-5-9-14-19)17(2)27-22(28)23(24,25)26/h3-9,11-17,20-21H,1,10H2,2H3,(H,27,28)/b16-15+/t17-,20+,21+/m1/s1
• InChIKey: AHQFPDSMVUYTCL-ZDCIOYLDSA-N
• XLogP: 5.47
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide (CID 15737565) is 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide is C=CC[C@@H](/C=C/c1ccccc1)O[C@H](c1ccccc1)[C@@H](C)NC(=O)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide?

The InChIKey is AHQFPDSMVUYTCL-ZDCIOYLDSA-N. The full InChI is InChI=1S/C23H24F3NO2/c1-3-10-20(16-15-18-11-6-4-7-12-18)29-21(19-13-8-5-9-14-19)17(2)27-22(28)23(24,25)26/h3-9,11-17,20-21H,1,10H2,2H3,(H,27,28)/b16-15+/t17-,20+,21+/m1/s1.

What are the key properties of 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide?

2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 15737565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).