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

C28H21F4N3O2 — CID 25013812

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

2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide (PubChem CID 25013812) has the molecular formula C28H21F4N3O2 and a molecular weight of 507.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide
• PubChem CID: 25013812
• Molecular Formula: C28H21F4N3O2
• Molecular Weight: 507.49 g/mol
• Exact Mass: 507.16
• IUPAC Name: 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide
• SMILES: C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1
• InChI: InChI=1S/C28H21F4N3O2/c1-17(34-27(36)28(30,31)32)26(20-7-6-18-4-2-3-5-19(18)14-20)37-24-12-13-25-21(15-24)16-33-35(25)23-10-8-22(29)9-11-23/h2-17,26H,1H3,(H,34,36)/t17-,26-/m0/s1
• InChIKey: PWKJVVLBXRWXFQ-QLXKLKPCSA-N
• XLogP: 6.50
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.49
LogP ≤ 5	6.50
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-naphthalen-2-ylpropan-2-yl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide (CID 25013812) is 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-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-naphthalen-2-ylpropan-2-yl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide is C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1.

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

The InChIKey is PWKJVVLBXRWXFQ-QLXKLKPCSA-N. The full InChI is InChI=1S/C28H21F4N3O2/c1-17(34-27(36)28(30,31)32)26(20-7-6-18-4-2-3-5-19(18)14-20)37-24-12-13-25-21(15-24)16-33-35(25)23-10-8-22(29)9-11-23/h2-17,26H,1H3,(H,34,36)/t17-,26-/m0/s1.

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

2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-naphthalen-2-ylpropan-2-yl]acetamide has a molecular weight of 507.49 g/mol, XLogP of 6.50, 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-naphthalen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 25013812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).