N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide

C16H11BrIN3O2 — CID 1072227

IUPACN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
SMILESCc1cc2c(/N=N/C(=O)c3ccccc3I)c(O)[nH]c2cc1Br
InChIInChI=1S/C16H11BrIN3O2/c1-8-6-10-13(7-11(8)17)19-16(23)14(10)20-21-15(22)9-4-2-3-5-12(9)18/h2-7,19,23H,1H3/b21-20+
InChIKeyACMCBJSHZDJCJW-QZQOTICOSA-N
MW484.09 g/mol
LogP5.47
Rot. Bonds2

About N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide

N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide (PubChem CID 1072227) has the molecular formula C16H11BrIN3O2 and a molecular weight of 484.09 g/mol. Its IUPAC name is N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
PubChem CID1072227
Molecular FormulaC16H11BrIN3O2
Molecular Weight484.09 g/mol
Exact Mass482.91
IUPAC NameN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
SMILESCc1cc2c(/N=N/C(=O)c3ccccc3I)c(O)[nH]c2cc1Br
InChIInChI=1S/C16H11BrIN3O2/c1-8-6-10-13(7-11(8)17)19-16(23)14(10)20-21-15(22)9-4-2-3-5-12(9)18/h2-7,19,23H,1H3/b21-20+
InChIKeyACMCBJSHZDJCJW-QZQOTICOSA-N
XLogP5.47
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.09
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide?
The IUPAC name of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide (CID 1072227) is N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide.
What is the SMILES notation for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide?
The canonical SMILES for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide is Cc1cc2c(/N=N/C(=O)c3ccccc3I)c(O)[nH]c2cc1Br.
What is the InChIKey of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide?
The InChIKey is ACMCBJSHZDJCJW-QZQOTICOSA-N. The full InChI is InChI=1S/C16H11BrIN3O2/c1-8-6-10-13(7-11(8)17)19-16(23)14(10)20-21-15(22)9-4-2-3-5-12(9)18/h2-7,19,23H,1H3/b21-20+.
What are the key properties of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide?
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide has a molecular weight of 484.09 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide is sourced from PubChem (CID 1072227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).