N'-(4-bromophenyl)ethanimidamide

C8H9BrN2 — CID 24745386

IUPACN'-(4-bromophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11)
InChIKeyPUCLIECJJRKSEZ-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.46
Rot. Bonds1

About N'-(4-bromophenyl)ethanimidamide

N'-(4-bromophenyl)ethanimidamide (PubChem CID 24745386) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is N'-(4-bromophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)ethanimidamide
PubChem CID24745386
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC NameN'-(4-bromophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11)
InChIKeyPUCLIECJJRKSEZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 N'-(4-bromophenyl)ethanimidamide?
The IUPAC name of N'-(4-bromophenyl)ethanimidamide (CID 24745386) is N'-(4-bromophenyl)ethanimidamide.
What is the SMILES notation for N'-(4-bromophenyl)ethanimidamide?
The canonical SMILES for N'-(4-bromophenyl)ethanimidamide is C/C(N)=N\c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)ethanimidamide?
The InChIKey is PUCLIECJJRKSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11).
What are the key properties of N'-(4-bromophenyl)ethanimidamide?
N'-(4-bromophenyl)ethanimidamide has a molecular weight of 213.08 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)ethanimidamide is sourced from PubChem (CID 24745386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).