N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide

C8H6BrN3O3 — CID 135463061

IUPACN-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(O)cc(Br)c2nonc12
InChIInChI=1S/C8H6BrN3O3/c1-3(13)10-7-5(14)2-4(9)6-8(7)12-15-11-6/h2,14H,1H3,(H,10,13)
InChIKeyBPEAUCQHFNJRES-UHFFFAOYSA-N
MW272.06 g/mol
LogP1.65
Rot. Bonds1

About N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide

N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide (PubChem CID 135463061) has the molecular formula C8H6BrN3O3 and a molecular weight of 272.06 g/mol. Its IUPAC name is N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide
PubChem CID135463061
Molecular FormulaC8H6BrN3O3
Molecular Weight272.06 g/mol
Exact Mass270.96
IUPAC NameN-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(O)cc(Br)c2nonc12
InChIInChI=1S/C8H6BrN3O3/c1-3(13)10-7-5(14)2-4(9)6-8(7)12-15-11-6/h2,14H,1H3,(H,10,13)
InChIKeyBPEAUCQHFNJRES-UHFFFAOYSA-N
XLogP1.65
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide 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 N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide?
The IUPAC name of N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide (CID 135463061) is N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide?
The canonical SMILES for N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide is CC(=O)Nc1c(O)cc(Br)c2nonc12.
What is the InChIKey of N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide?
The InChIKey is BPEAUCQHFNJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O3/c1-3(13)10-7-5(14)2-4(9)6-8(7)12-15-11-6/h2,14H,1H3,(H,10,13).
What are the key properties of N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide?
N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide has a molecular weight of 272.06 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide is sourced from PubChem (CID 135463061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).