3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide

C17H14BrN3O2 — CID 3880557

IUPAC3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cccc(Br)c3)c2c1
InChIInChI=1S/C17H14BrN3O2/c1-9-6-10(2)14-13(7-9)15(17(23)19-14)20-21-16(22)11-4-3-5-12(18)8-11/h3-8,19,23H,1-2H3/b21-20+
InChIKeyYNPVPUMTJZIXCS-QZQOTICOSA-N
MW372.22 g/mol
LogP5.18
Rot. Bonds2

About 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide

3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide (PubChem CID 3880557) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
PubChem CID3880557
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cccc(Br)c3)c2c1
InChIInChI=1S/C17H14BrN3O2/c1-9-6-10(2)14-13(7-9)15(17(23)19-14)20-21-16(22)11-4-3-5-12(18)8-11/h3-8,19,23H,1-2H3/b21-20+
InChIKeyYNPVPUMTJZIXCS-QZQOTICOSA-N
XLogP5.18
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.22
LogP ≤ 55.18
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

3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 166205930
5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
CID 4121796
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5197654
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3607032
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 2390603
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
1-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-3-methylthiourea
CID 135758806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide (CID 3880557) is 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide is Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cccc(Br)c3)c2c1.
What is the InChIKey of 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
The InChIKey is YNPVPUMTJZIXCS-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-9-6-10(2)14-13(7-9)15(17(23)19-14)20-21-16(22)11-4-3-5-12(18)8-11/h3-8,19,23H,1-2H3/b21-20+.
What are the key properties of 3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide?
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide has a molecular weight of 372.22 g/mol, XLogP of 5.18, 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-5,7-dimethyl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 3880557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).