5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide

C16H11Br2N3O3 — CID 4121796

IUPAC5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESCc1cc(Br)cc2c(/N=N/C(=O)c3cc(Br)ccc3O)c(O)[nH]c12
InChIInChI=1S/C16H11Br2N3O3/c1-7-4-9(18)6-11-13(7)19-16(24)14(11)20-21-15(23)10-5-8(17)2-3-12(10)22/h2-6,19,22,24H,1H3/b21-20+
InChIKeyUGRRSFIGJJYXIL-QZQOTICOSA-N
MW453.09 g/mol
LogP5.34
Rot. Bonds2

About 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide

5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide (PubChem CID 4121796) has the molecular formula C16H11Br2N3O3 and a molecular weight of 453.09 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
PubChem CID4121796
Molecular FormulaC16H11Br2N3O3
Molecular Weight453.09 g/mol
Exact Mass450.92
IUPAC Name5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESCc1cc(Br)cc2c(/N=N/C(=O)c3cc(Br)ccc3O)c(O)[nH]c12
InChIInChI=1S/C16H11Br2N3O3/c1-7-4-9(18)6-11-13(7)19-16(24)14(11)20-21-15(23)10-5-8(17)2-3-12(10)22/h2-6,19,22,24H,1H3/b21-20+
InChIKeyUGRRSFIGJJYXIL-QZQOTICOSA-N
XLogP5.34
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.09
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide (CID 4121796) is 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide is Cc1cc(Br)cc2c(/N=N/C(=O)c3cc(Br)ccc3O)c(O)[nH]c12.
What is the InChIKey of 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The InChIKey is UGRRSFIGJJYXIL-QZQOTICOSA-N. The full InChI is InChI=1S/C16H11Br2N3O3/c1-7-4-9(18)6-11-13(7)19-16(24)14(11)20-21-15(23)10-5-8(17)2-3-12(10)22/h2-6,19,22,24H,1H3/b21-20+.
What are the key properties of 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide has a molecular weight of 453.09 g/mol, XLogP of 5.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide is sourced from PubChem (CID 4121796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).