N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid

C40H30BBrF4N8O4Se2 — CID 159443599

About N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid

N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid (PubChem CID 159443599) has the molecular formula C40H30BBrF4N8O4Se2 and a molecular weight of 1011.36 g/mol. Its IUPAC name is N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid.

Molecular Properties

• Compound Name: N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid
• PubChem CID: 159443599
• Molecular Formula: C40H30BBrF4N8O4Se2
• Molecular Weight: 1011.36 g/mol
• Exact Mass: 1011.99
• IUPAC Name: N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid
• SMILES: Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cn1nc(-c2ccccc2F)cc1B(O)O.O=C(Nc1ncc(Br)[se]1)c1ccccc1F
• InChI: InChI=1S/C20H14F2N4OSe.C10H10BFN2O2.C10H6BrFN2OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22;1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;11-8-5-13-10(16-8)14-9(15)6-3-1-2-4-7(6)12/h2-11H,1H3,(H,23,24,27);2-6,15-16H,1H3;1-5H,(H,13,14,15)
• InChIKey: LSMCFIWBWOBQTN-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 160.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.36
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid?

The IUPAC name of N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid (CID 159443599) is N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid.

What is the SMILES notation for N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid?

The canonical SMILES for N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid is Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cn1nc(-c2ccccc2F)cc1B(O)O.O=C(Nc1ncc(Br)[se]1)c1ccccc1F.

What is the InChIKey of N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid?

The InChIKey is LSMCFIWBWOBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OSe.C10H10BFN2O2.C10H6BrFN2OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22;1-14-10(11(15)16)6-9(13-14)7-4-2-3-5-8(7)12;11-8-5-13-10(16-8)14-9(15)6-3-1-2-4-7(6)12/h2-11H,1H3,(H,23,24,27);2-6,15-16H,1H3;1-5H,(H,13,14,15).

What are the key properties of N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid?

N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid has a molecular weight of 1011.36 g/mol, XLogP of 5.94, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-1,3-selenazol-2-yl)-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]boronic acid is sourced from PubChem (CID 159443599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).