benzo[g][1,2,3]benzodioxazole-3-carboxamide

C11H8N2O3 — CID 142673238

IUPACbenzo[g][1,2,3]benzodioxazole-3-carboxamide
SMILESNC(=O)N1OOc2c1ccc1ccccc21
InChIInChI=1S/C11H8N2O3/c12-11(14)13-9-6-5-7-3-1-2-4-8(7)10(9)15-16-13/h1-6H,(H2,12,14)
InChIKeyIZHOZVFMUATAGR-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.96
Rot. Bonds

About benzo[g][1,2,3]benzodioxazole-3-carboxamide

benzo[g][1,2,3]benzodioxazole-3-carboxamide (PubChem CID 142673238) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is benzo[g][1,2,3]benzodioxazole-3-carboxamide.

Molecular Properties

Compound Namebenzo[g][1,2,3]benzodioxazole-3-carboxamide
PubChem CID142673238
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Namebenzo[g][1,2,3]benzodioxazole-3-carboxamide
SMILESNC(=O)N1OOc2c1ccc1ccccc21
InChIInChI=1S/C11H8N2O3/c12-11(14)13-9-6-5-7-3-1-2-4-8(7)10(9)15-16-13/h1-6H,(H2,12,14)
InChIKeyIZHOZVFMUATAGR-UHFFFAOYSA-N
XLogP1.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Hydroxynaphthalen-2-yl)urea
CID 23171447
1-Naphthalen-1-yloxy-1-phenylurea
CID 53711587
(3-Hydroxynaphthalen-2-yl)urea
CID 69729589

Frequently Asked Questions

What is the IUPAC name of benzo[g][1,2,3]benzodioxazole-3-carboxamide?
The IUPAC name of benzo[g][1,2,3]benzodioxazole-3-carboxamide (CID 142673238) is benzo[g][1,2,3]benzodioxazole-3-carboxamide.
What is the SMILES notation for benzo[g][1,2,3]benzodioxazole-3-carboxamide?
The canonical SMILES for benzo[g][1,2,3]benzodioxazole-3-carboxamide is NC(=O)N1OOc2c1ccc1ccccc21.
What is the InChIKey of benzo[g][1,2,3]benzodioxazole-3-carboxamide?
The InChIKey is IZHOZVFMUATAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c12-11(14)13-9-6-5-7-3-1-2-4-8(7)10(9)15-16-13/h1-6H,(H2,12,14).
What are the key properties of benzo[g][1,2,3]benzodioxazole-3-carboxamide?
benzo[g][1,2,3]benzodioxazole-3-carboxamide has a molecular weight of 216.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,2,3]benzodioxazole-3-carboxamide is sourced from PubChem (CID 142673238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).