2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide

C25H21F4N3O2 — CID 162657091

About 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide (PubChem CID 162657091) has the molecular formula C25H21F4N3O2 and a molecular weight of 471.45 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide
• PubChem CID: 162657091
• Molecular Formula: C25H21F4N3O2
• Molecular Weight: 471.45 g/mol
• Exact Mass: 471.16
• IUPAC Name: 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide
• SMILES: Cc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)cc1
• InChI: InChI=1S/C25H21F4N3O2/c1-15-3-5-17(6-4-15)23(16(2)31-24(33)25(27,28)29)34-21-11-12-22-18(13-21)14-30-32(22)20-9-7-19(26)8-10-20/h3-14,16,23H,1-2H3,(H,31,33)/t16-,23-/m0/s1
• InChIKey: BUPAQOQEQDIOPK-HJPURHCSSA-N
• XLogP: 5.66
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.45
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide (CID 162657091) is 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide is Cc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)cc1.

What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide?

The InChIKey is BUPAQOQEQDIOPK-HJPURHCSSA-N. The full InChI is InChI=1S/C25H21F4N3O2/c1-15-3-5-17(6-4-15)23(16(2)31-24(33)25(27,28)29)34-21-11-12-22-18(13-21)14-30-32(22)20-9-7-19(26)8-10-20/h3-14,16,23H,1-2H3,(H,31,33)/t16-,23-/m0/s1.

What are the key properties of 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide?

2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide has a molecular weight of 471.45 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 162657091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).