2-(2,5-dibromophenyl)ethanimidamide

C8H8Br2N2 — CID 141257590

IUPAC2-(2,5-dibromophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Br)ccc1Br
InChIInChI=1S/C8H8Br2N2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyBEKZJTZSIZWLOH-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.69
Rot. Bonds2

About 2-(2,5-dibromophenyl)ethanimidamide

2-(2,5-dibromophenyl)ethanimidamide (PubChem CID 141257590) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)ethanimidamide.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)ethanimidamide
PubChem CID141257590
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name2-(2,5-dibromophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Br)ccc1Br
InChIInChI=1S/C8H8Br2N2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyBEKZJTZSIZWLOH-UHFFFAOYSA-N
XLogP2.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)ethanimidamide?
The IUPAC name of 2-(2,5-dibromophenyl)ethanimidamide (CID 141257590) is 2-(2,5-dibromophenyl)ethanimidamide.
What is the SMILES notation for 2-(2,5-dibromophenyl)ethanimidamide?
The canonical SMILES for 2-(2,5-dibromophenyl)ethanimidamide is [H]/N=C(\N)Cc1cc(Br)ccc1Br.
What is the InChIKey of 2-(2,5-dibromophenyl)ethanimidamide?
The InChIKey is BEKZJTZSIZWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H3,11,12).
What are the key properties of 2-(2,5-dibromophenyl)ethanimidamide?
2-(2,5-dibromophenyl)ethanimidamide has a molecular weight of 291.97 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)ethanimidamide is sourced from PubChem (CID 141257590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).