N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide

C25H21F4N3O3 — CID 91418913

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide (PubChem CID 91418913) has the molecular formula C25H21F4N3O3 and a molecular weight of 487.45 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide
• PubChem CID: 91418913
• Molecular Formula: C25H21F4N3O3
• Molecular Weight: 487.45 g/mol
• Exact Mass: 487.15
• IUPAC Name: N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide
• SMILES: CC(NC(=O)CO)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H21F4N3O3/c1-15(31-23(34)14-33)24(16-2-4-18(5-3-16)25(27,28)29)35-21-10-11-22-17(12-21)13-30-32(22)20-8-6-19(26)7-9-20/h2-13,15,24,33H,14H2,1H3,(H,31,34)
• InChIKey: PCQDBIVQNKOKDN-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.45
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide?

The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide (CID 91418913) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide is CC(NC(=O)CO)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide?

The InChIKey is PCQDBIVQNKOKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O3/c1-15(31-23(34)14-33)24(16-2-4-18(5-3-16)25(27,28)29)35-21-10-11-22-17(12-21)13-30-32(22)20-8-6-19(26)7-9-20/h2-13,15,24,33H,14H2,1H3,(H,31,34).

What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide?

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide has a molecular weight of 487.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 91418913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).