5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide

C16H11BrClN3O3 — CID 135927066

IUPAC5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide
SMILESCn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21
InChIInChI=1S/C16H11BrClN3O3/c1-21-12-4-3-9(18)7-10(12)14(16(21)24)19-20-15(23)11-6-8(17)2-5-13(11)22/h2-7,22,24H,1H3/b20-19+
InChIKeyYZQBWULOLASDIH-FMQUCBEESA-N
MW408.64 g/mol
LogP4.93
Rot. Bonds2

About 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide

5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide (PubChem CID 135927066) has the molecular formula C16H11BrClN3O3 and a molecular weight of 408.64 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide
PubChem CID135927066
Molecular FormulaC16H11BrClN3O3
Molecular Weight408.64 g/mol
Exact Mass406.97
IUPAC Name5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide
SMILESCn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21
InChIInChI=1S/C16H11BrClN3O3/c1-21-12-4-3-9(18)7-10(12)14(16(21)24)19-20-15(23)11-6-8(17)2-5-13(11)22/h2-7,22,24H,1H3/b20-19+
InChIKeyYZQBWULOLASDIH-FMQUCBEESA-N
XLogP4.93
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide (CID 135927066) is 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide is Cn1c(O)c(/N=N/C(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21.
What is the InChIKey of 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide?
The InChIKey is YZQBWULOLASDIH-FMQUCBEESA-N. The full InChI is InChI=1S/C16H11BrClN3O3/c1-21-12-4-3-9(18)7-10(12)14(16(21)24)19-20-15(23)11-6-8(17)2-5-13(11)22/h2-7,22,24H,1H3/b20-19+.
What are the key properties of 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide?
5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide has a molecular weight of 408.64 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide is sourced from PubChem (CID 135927066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).