6-amino-4-bromodibenzofuran-2-carboxamide

C13H9BrN2O2 — CID 176887224

IUPAC6-amino-4-bromodibenzofuran-2-carboxamide
SMILESNC(=O)c1cc(Br)c2oc3c(N)cccc3c2c1
InChIInChI=1S/C13H9BrN2O2/c14-9-5-6(13(16)17)4-8-7-2-1-3-10(15)12(7)18-11(8)9/h1-5H,15H2,(H2,16,17)
InChIKeyQBQNIPPKPCBYFP-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.03
Rot. Bonds1

About 6-amino-4-bromodibenzofuran-2-carboxamide

6-amino-4-bromodibenzofuran-2-carboxamide (PubChem CID 176887224) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 6-amino-4-bromodibenzofuran-2-carboxamide.

Molecular Properties

Compound Name6-amino-4-bromodibenzofuran-2-carboxamide
PubChem CID176887224
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name6-amino-4-bromodibenzofuran-2-carboxamide
SMILESNC(=O)c1cc(Br)c2oc3c(N)cccc3c2c1
InChIInChI=1S/C13H9BrN2O2/c14-9-5-6(13(16)17)4-8-7-2-1-3-10(15)12(7)18-11(8)9/h1-5H,15H2,(H2,16,17)
InChIKeyQBQNIPPKPCBYFP-UHFFFAOYSA-N
XLogP3.03
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-4-bromodibenzofuran-2-carboxamide 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 6-amino-4-bromodibenzofuran-2-carboxamide?
The IUPAC name of 6-amino-4-bromodibenzofuran-2-carboxamide (CID 176887224) is 6-amino-4-bromodibenzofuran-2-carboxamide.
What is the SMILES notation for 6-amino-4-bromodibenzofuran-2-carboxamide?
The canonical SMILES for 6-amino-4-bromodibenzofuran-2-carboxamide is NC(=O)c1cc(Br)c2oc3c(N)cccc3c2c1.
What is the InChIKey of 6-amino-4-bromodibenzofuran-2-carboxamide?
The InChIKey is QBQNIPPKPCBYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-9-5-6(13(16)17)4-8-7-2-1-3-10(15)12(7)18-11(8)9/h1-5H,15H2,(H2,16,17).
What are the key properties of 6-amino-4-bromodibenzofuran-2-carboxamide?
6-amino-4-bromodibenzofuran-2-carboxamide has a molecular weight of 305.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-bromodibenzofuran-2-carboxamide is sourced from PubChem (CID 176887224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).