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

C16H12BrN3O3 — CID 135582985

IUPACN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESCc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)c3ccccc3O)c2c1
InChIInChI=1S/C16H12BrN3O3/c1-8-6-10-13(11(17)7-8)18-16(23)14(10)19-20-15(22)9-4-2-3-5-12(9)21/h2-7,18,21,23H,1H3/b20-19+
InChIKeyZMTDVPLZKQFDGP-FMQUCBEESA-N
MW374.19 g/mol
LogP4.57
Rot. Bonds2

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

N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide (PubChem CID 135582985) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
PubChem CID135582985
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESCc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)c3ccccc3O)c2c1
InChIInChI=1S/C16H12BrN3O3/c1-8-6-10-13(11(17)7-8)18-16(23)14(10)19-20-15(22)9-4-2-3-5-12(9)21/h2-7,18,21,23H,1H3/b20-19+
InChIKeyZMTDVPLZKQFDGP-FMQUCBEESA-N
XLogP4.57
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.57
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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Related Compounds

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
CID 4121796
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 2319716
4-tert-butyl-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4571048
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
CID 1072227
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
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
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The IUPAC name of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide (CID 135582985) is N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The canonical SMILES for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide is Cc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)c3ccccc3O)c2c1.
What is the InChIKey of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The InChIKey is ZMTDVPLZKQFDGP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-8-6-10-13(11(17)7-8)18-16(23)14(10)19-20-15(22)9-4-2-3-5-12(9)21/h2-7,18,21,23H,1H3/b20-19+.
What are the key properties of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide?
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide has a molecular weight of 374.19 g/mol, XLogP of 4.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide is sourced from PubChem (CID 135582985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).