3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

C15H10BrN3O2 — CID 749764

IUPAC3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C15H10BrN3O2/c16-10-5-3-4-9(8-10)14(20)19-18-13-11-6-1-2-7-12(11)17-15(13)21/h1-8,17,21H/b19-18+
InChIKeyQMJCPCHIFAGTDJ-VHEBQXMUSA-N
MW344.17 g/mol
LogP4.56
Rot. Bonds2

About 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 749764) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID749764
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C15H10BrN3O2/c16-10-5-3-4-9(8-10)14(20)19-18-13-11-6-1-2-7-12(11)17-15(13)21/h1-8,17,21H/b19-18+
InChIKeyQMJCPCHIFAGTDJ-VHEBQXMUSA-N
XLogP4.56
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 749764) is 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is QMJCPCHIFAGTDJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-10-5-3-4-9(8-10)14(20)19-18-13-11-6-1-2-7-12(11)17-15(13)21/h1-8,17,21H/b19-18+.
What are the key properties of 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 344.17 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 749764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).