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

C15H9Br2N3O2 — CID 1034759

IUPAC3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(Br)c1
InChIInChI=1S/C15H9Br2N3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyRDVUVJUGFGAPFG-FMQUCBEESA-N
MW423.06 g/mol
LogP5.32
Rot. Bonds2

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

3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 1034759) has the molecular formula C15H9Br2N3O2 and a molecular weight of 423.06 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID1034759
Molecular FormulaC15H9Br2N3O2
Molecular Weight423.06 g/mol
Exact Mass420.91
IUPAC Name3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(Br)c1
InChIInChI=1S/C15H9Br2N3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyRDVUVJUGFGAPFG-FMQUCBEESA-N
XLogP5.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.06
LogP ≤ 55.32
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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Related Compounds

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 1269447
2-N,4-N-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226370
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[(3-methoxyphenyl)carbamoylamino]benzamide
CID 155534994
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 1356481
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[[(2S,3R)-3-[4-[(5-bromo-2-hydroxy-1H-indol-3-yl)iminocarbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
CID 136911774
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 1034759) is 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is RDVUVJUGFGAPFG-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9Br2N3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+.
What are the key properties of 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide?
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 423.06 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 1034759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).