6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide

C10H9BrN2O2 — CID 90332398

IUPAC6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1coc2cc(N)c(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-13-10(14)6-4-15-9-3-8(12)7(11)2-5(6)9/h2-4H,12H2,1H3,(H,13,14)
InChIKeyWIQJUKQDQJZWCW-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.14
Rot. Bonds1

About 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide

6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 90332398) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide
PubChem CID90332398
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1coc2cc(N)c(Br)cc12
InChIInChI=1S/C10H9BrN2O2/c1-13-10(14)6-4-15-9-3-8(12)7(11)2-5(6)9/h2-4H,12H2,1H3,(H,13,14)
InChIKeyWIQJUKQDQJZWCW-UHFFFAOYSA-N
XLogP2.14
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-5-bromo-N-methyl-1-benzofuran-3-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-5-bromo-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide (CID 90332398) is 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1coc2cc(N)c(Br)cc12.
What is the InChIKey of 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is WIQJUKQDQJZWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-10(14)6-4-15-9-3-8(12)7(11)2-5(6)9/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide?
6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 269.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90332398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).