4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide

C17H14BrN3O2 — CID 1035611

IUPAC4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)c1ccc(Br)cc1)c(O)n2C
InChIInChI=1S/C17H14BrN3O2/c1-10-3-8-14-13(9-10)15(17(23)21(14)2)19-20-16(22)11-4-6-12(18)7-5-11/h3-9,23H,1-2H3/b20-19+
InChIKeyJRGOABGXHFMWPM-FMQUCBEESA-N
MW372.22 g/mol
LogP4.88
Rot. Bonds2

About 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide

4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide (PubChem CID 1035611) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
PubChem CID1035611
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)c1ccc(Br)cc1)c(O)n2C
InChIInChI=1S/C17H14BrN3O2/c1-10-3-8-14-13(9-10)15(17(23)21(14)2)19-20-16(22)11-4-6-12(18)7-5-11/h3-9,23H,1-2H3/b20-19+
InChIKeyJRGOABGXHFMWPM-FMQUCBEESA-N
XLogP4.88
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
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 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide (CID 1035611) is 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide is Cc1ccc2c(c1)c(/N=N/C(=O)c1ccc(Br)cc1)c(O)n2C.
What is the InChIKey of 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide?
The InChIKey is JRGOABGXHFMWPM-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-10-3-8-14-13(9-10)15(17(23)21(14)2)19-20-16(22)11-4-6-12(18)7-5-11/h3-9,23H,1-2H3/b20-19+.
What are the key properties of 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide?
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide has a molecular weight of 372.22 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide is sourced from PubChem (CID 1035611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).