2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

C19H22F3N3O3 — CID 47829391

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 47829391) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
• PubChem CID: 47829391
• Molecular Formula: C19H22F3N3O3
• Molecular Weight: 397.40 g/mol
• Exact Mass: 397.16
• IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
• SMILES: Cn1ccnc1C(O)(CCNC(=O)COc1ccc2c(c1)CCC2)C(F)(F)F
• InChI: InChI=1S/C19H22F3N3O3/c1-25-10-9-24-17(25)18(27,19(20,21)22)7-8-23-16(26)12-28-15-6-5-13-3-2-4-14(13)11-15/h5-6,9-11,27H,2-4,7-8,12H2,1H3,(H,23,26)
• InChIKey: XEGYSOBPTHAPRG-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 47829391) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1C(O)(CCNC(=O)COc1ccc2c(c1)CCC2)C(F)(F)F.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The InChIKey is XEGYSOBPTHAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-25-10-9-24-17(25)18(27,19(20,21)22)7-8-23-16(26)12-28-15-6-5-13-3-2-4-14(13)11-15/h5-6,9-11,27H,2-4,7-8,12H2,1H3,(H,23,26).

What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 397.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 47829391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).