N'-(2,5-dichlorophenyl)ethanimidamide

C8H8Cl2N2 — CID 63173337

IUPACN'-(2,5-dichlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-5(11)12-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H2,11,12)
InChIKeyBEMKMULIYWIURX-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.00
Rot. Bonds1

About N'-(2,5-dichlorophenyl)ethanimidamide

N'-(2,5-dichlorophenyl)ethanimidamide (PubChem CID 63173337) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)ethanimidamide
PubChem CID63173337
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC NameN'-(2,5-dichlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-5(11)12-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H2,11,12)
InChIKeyBEMKMULIYWIURX-UHFFFAOYSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.00
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'-(2,5-dichlorophenyl)ethanimidamide?
The IUPAC name of N'-(2,5-dichlorophenyl)ethanimidamide (CID 63173337) is N'-(2,5-dichlorophenyl)ethanimidamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)ethanimidamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)ethanimidamide is C/C(N)=N\c1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)ethanimidamide?
The InChIKey is BEMKMULIYWIURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-5(11)12-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H2,11,12).
What are the key properties of N'-(2,5-dichlorophenyl)ethanimidamide?
N'-(2,5-dichlorophenyl)ethanimidamide has a molecular weight of 203.07 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)ethanimidamide is sourced from PubChem (CID 63173337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).