2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide

C₂₅H₂₃Br₂N₅O₄ — CID 155511212

About 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide

2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide (PubChem CID 155511212) has the molecular formula C₂₅H₂₃Br₂N₅O₄ and a molecular weight of 617.30 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide
• PubChem CID: 155511212
• Molecular Formula: C₂₅H₂₃Br₂N₅O₄
• Molecular Weight: 617.30 g/mol
• Exact Mass: 615.01
• IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide
• SMILES: O=C(NCCCNCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
• InChI: InChI=1S/C25H23Br2N5O4/c26-14-2-4-16-18(12-31-20(16)10-14)22(33)24(35)29-7-1-6-28-8-9-30-25(36)23(34)19-13-32-21-11-15(27)3-5-17(19)21/h2-5,10-13,28,31-32H,1,6-9H2,(H,29,35)(H,30,36)
• InChIKey: HSJSOFJZHIYYMC-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 135.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.30
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide?

The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide (CID 155511212) is 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide.

What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide?

The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide is O=C(NCCCNCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12.

What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide?

The InChIKey is HSJSOFJZHIYYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Br2N5O4/c26-14-2-4-16-18(12-31-20(16)10-14)22(33)24(35)29-7-1-6-28-8-9-30-25(36)23(34)19-13-32-21-11-15(27)3-5-17(19)21/h2-5,10-13,28,31-32H,1,6-9H2,(H,29,35)(H,30,36).

What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide?

2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide has a molecular weight of 617.30 g/mol, XLogP of 3.45, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide is sourced from PubChem (CID 155511212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155511212 — identifiers, structure, computed properties (public domain)

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