N-amino-5-bromo-N'-phenylfuran-2-carboximidamide

C11H10BrN3O — CID 61363316

IUPACN-amino-5-bromo-N'-phenylfuran-2-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C11H10BrN3O/c12-10-7-6-9(16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyVWQNKEPRIBHHFN-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.58
Rot. Bonds2

About N-amino-5-bromo-N'-phenylfuran-2-carboximidamide

N-amino-5-bromo-N'-phenylfuran-2-carboximidamide (PubChem CID 61363316) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is N-amino-5-bromo-N'-phenylfuran-2-carboximidamide.

Molecular Properties

Compound NameN-amino-5-bromo-N'-phenylfuran-2-carboximidamide
PubChem CID61363316
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC NameN-amino-5-bromo-N'-phenylfuran-2-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C11H10BrN3O/c12-10-7-6-9(16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyVWQNKEPRIBHHFN-UHFFFAOYSA-N
XLogP2.58
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-5-bromo-N'-phenylfuran-2-carboximidamide?
The IUPAC name of N-amino-5-bromo-N'-phenylfuran-2-carboximidamide (CID 61363316) is N-amino-5-bromo-N'-phenylfuran-2-carboximidamide.
What is the SMILES notation for N-amino-5-bromo-N'-phenylfuran-2-carboximidamide?
The canonical SMILES for N-amino-5-bromo-N'-phenylfuran-2-carboximidamide is NN/C(=N\c1ccccc1)c1ccc(Br)o1.
What is the InChIKey of N-amino-5-bromo-N'-phenylfuran-2-carboximidamide?
The InChIKey is VWQNKEPRIBHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-10-7-6-9(16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15).
What are the key properties of N-amino-5-bromo-N'-phenylfuran-2-carboximidamide?
N-amino-5-bromo-N'-phenylfuran-2-carboximidamide has a molecular weight of 280.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-bromo-N'-phenylfuran-2-carboximidamide is sourced from PubChem (CID 61363316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).