3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide

C25H18F2N6O3 — CID 166205930

About 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide

3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide (PubChem CID 166205930) has the molecular formula C25H18F2N6O3 and a molecular weight of 488.45 g/mol. Its IUPAC name is 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

• Compound Name: 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
• PubChem CID: 166205930
• Molecular Formula: C25H18F2N6O3
• Molecular Weight: 488.45 g/mol
• Exact Mass: 488.14
• IUPAC Name: 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
• SMILES: Cc1cc(F)c2[nH]c(O)c(/N=N/C(=O)c3cccc(/N=N/c4c(O)[nH]c5c(F)cc(C)cc45)c3)c2c1
• InChI: InChI=1S/C25H18F2N6O3/c1-11-6-15-19(17(26)8-11)28-24(35)21(15)31-30-14-5-3-4-13(10-14)23(34)33-32-22-16-7-12(2)9-18(27)20(16)29-25(22)36/h3-10,28-29,35-36H,1-2H3/b31-30+,33-32+
• InChIKey: XZSOFLRGMHIZOC-CJQWSLHQSA-N
• XLogP: 7.29
• TPSA: 138.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.45
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?

The IUPAC name of 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide (CID 166205930) is 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide.

What is the SMILES notation for 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?

The canonical SMILES for 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide is Cc1cc(F)c2[nH]c(O)c(/N=N/C(=O)c3cccc(/N=N/c4c(O)[nH]c5c(F)cc(C)cc45)c3)c2c1.

What is the InChIKey of 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?

The InChIKey is XZSOFLRGMHIZOC-CJQWSLHQSA-N. The full InChI is InChI=1S/C25H18F2N6O3/c1-11-6-15-19(17(26)8-11)28-24(35)21(15)31-30-14-5-3-4-13(10-14)23(34)33-32-22-16-7-12(2)9-18(27)20(16)29-25(22)36/h3-10,28-29,35-36H,1-2H3/b31-30+,33-32+.

What are the key properties of 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide?

3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide has a molecular weight of 488.45 g/mol, XLogP of 7.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 166205930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).