2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide

C16H13N3O3 — CID 678359

IUPAC2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide
SMILESCn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-19-12-8-4-2-6-10(12)14(16(19)22)17-18-15(21)11-7-3-5-9-13(11)20/h2-9,20,22H,1H3/b18-17+
InChIKeyOSXHKFVQWBRTLX-ISLYRVAYSA-N
MW295.30 g/mol
LogP3.51
Rot. Bonds2

About 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide

2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide (PubChem CID 678359) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide
PubChem CID678359
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide
SMILESCn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-19-12-8-4-2-6-10(12)14(16(19)22)17-18-15(21)11-7-3-5-9-13(11)20/h2-9,20,22H,1H3/b18-17+
InChIKeyOSXHKFVQWBRTLX-ISLYRVAYSA-N
XLogP3.51
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.51
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 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide 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 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide (CID 678359) is 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide is Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide?
The InChIKey is OSXHKFVQWBRTLX-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-19-12-8-4-2-6-10(12)14(16(19)22)17-18-15(21)11-7-3-5-9-13(11)20/h2-9,20,22H,1H3/b18-17+.
What are the key properties of 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide?
2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide has a molecular weight of 295.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-1-methylindol-3-yl)iminobenzamide is sourced from PubChem (CID 678359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).