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

IUPAC2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide
SMILESO=C(NCCCNCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=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)
InChIKeyHSJSOFJZHIYYMC-UHFFFAOYSA-N
MW617.30 g/mol
LogP3.45
Rot. Bonds11

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 Name2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide
PubChem CID155511212
Molecular FormulaC25H23Br2N5O4
Molecular Weight617.30 g/mol
Exact Mass615.01
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N-[3-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethylamino]propyl]-2-oxoacetamide
SMILESO=C(NCCCNCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=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)
InChIKeyHSJSOFJZHIYYMC-UHFFFAOYSA-N
XLogP3.45
TPSA135.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.30
LogP ≤ 53.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).