6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide

C18H11Br2N3O2 — CID 127048052

IUPAC6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide
SMILESO=C(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H11Br2N3O2/c19-9-1-3-11-13(7-21-15(11)5-9)17(24)23-18(25)14-8-22-16-6-10(20)2-4-12(14)16/h1-8,21-22H,(H,23,24,25)
InChIKeyNQBSXLYLOWVOEF-UHFFFAOYSA-N
MW461.11 g/mol
LogP4.74
Rot. Bonds2

About 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide

6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide (PubChem CID 127048052) has the molecular formula C18H11Br2N3O2 and a molecular weight of 461.11 g/mol. Its IUPAC name is 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide
PubChem CID127048052
Molecular FormulaC18H11Br2N3O2
Molecular Weight461.11 g/mol
Exact Mass458.92
IUPAC Name6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide
SMILESO=C(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H11Br2N3O2/c19-9-1-3-11-13(7-21-15(11)5-9)17(24)23-18(25)14-8-22-16-6-10(20)2-4-12(14)16/h1-8,21-22H,(H,23,24,25)
InChIKeyNQBSXLYLOWVOEF-UHFFFAOYSA-N
XLogP4.74
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide (CID 127048052) is 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide is O=C(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide?
The InChIKey is NQBSXLYLOWVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N3O2/c19-9-1-3-11-13(7-21-15(11)5-9)17(24)23-18(25)14-8-22-16-6-10(20)2-4-12(14)16/h1-8,21-22H,(H,23,24,25).
What are the key properties of 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide?
6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide has a molecular weight of 461.11 g/mol, XLogP of 4.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 127048052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).