N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide

C8H7BrClFN2 — CID 107617103

IUPACN'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide
SMILESC/C(N)=N\c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H7BrClFN2/c1-4(12)13-8-6(9)2-5(11)3-7(8)10/h2-3H,1H3,(H2,12,13)
InChIKeyWLYOQKPMEDZXLG-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.25
Rot. Bonds1

About N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide

N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide (PubChem CID 107617103) has the molecular formula C8H7BrClFN2 and a molecular weight of 265.51 g/mol. Its IUPAC name is N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide
PubChem CID107617103
Molecular FormulaC8H7BrClFN2
Molecular Weight265.51 g/mol
Exact Mass263.95
IUPAC NameN'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide
SMILESC/C(N)=N\c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H7BrClFN2/c1-4(12)13-8-6(9)2-5(11)3-7(8)10/h2-3H,1H3,(H2,12,13)
InChIKeyWLYOQKPMEDZXLG-UHFFFAOYSA-N
XLogP3.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.25
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'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide?
The IUPAC name of N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide (CID 107617103) is N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide.
What is the SMILES notation for N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide?
The canonical SMILES for N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide is C/C(N)=N\c1c(Cl)cc(F)cc1Br.
What is the InChIKey of N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide?
The InChIKey is WLYOQKPMEDZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFN2/c1-4(12)13-8-6(9)2-5(11)3-7(8)10/h2-3H,1H3,(H2,12,13).
What are the key properties of N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide?
N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide has a molecular weight of 265.51 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-6-chloro-4-fluorophenyl)ethanimidamide is sourced from PubChem (CID 107617103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).