N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide

C26H23F4N3O2 — CID 74388636

About N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 74388636) has the molecular formula C26H23F4N3O2 and a molecular weight of 485.48 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 74388636
• Molecular Formula: C26H23F4N3O2
• Molecular Weight: 485.48 g/mol
• Exact Mass: 485.17
• IUPAC Name: N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
• SMILES: CCc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)C(F)(F)F)cc1
• InChI: InChI=1S/C26H23F4N3O2/c1-3-17-4-6-18(7-5-17)24(16(2)32-25(34)26(28,29)30)35-22-12-13-23-19(14-22)15-31-33(23)21-10-8-20(27)9-11-21/h4-16,24H,3H2,1-2H3,(H,32,34)
• InChIKey: MHHMZLYOOFXBMN-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.48
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide (CID 74388636) is N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide is CCc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)C(F)(F)F)cc1.

What is the InChIKey of N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide?

The InChIKey is MHHMZLYOOFXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O2/c1-3-17-4-6-18(7-5-17)24(16(2)32-25(34)26(28,29)30)35-22-12-13-23-19(14-22)15-31-33(23)21-10-8-20(27)9-11-21/h4-16,24H,3H2,1-2H3,(H,32,34).

What are the key properties of N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide?

N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 485.48 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 74388636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).