N'-(2,4,5-trichlorophenyl)ethanimidamide

C8H7Cl3N2 — CID 63172908

IUPACN'-(2,4,5-trichlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H2,12,13)
InChIKeyYZQLWIJLJFUSOI-UHFFFAOYSA-N
MW237.52 g/mol
LogP3.66
Rot. Bonds1

About N'-(2,4,5-trichlorophenyl)ethanimidamide

N'-(2,4,5-trichlorophenyl)ethanimidamide (PubChem CID 63172908) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is N'-(2,4,5-trichlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,4,5-trichlorophenyl)ethanimidamide
PubChem CID63172908
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC NameN'-(2,4,5-trichlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H2,12,13)
InChIKeyYZQLWIJLJFUSOI-UHFFFAOYSA-N
XLogP3.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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'-(2,4,5-trichlorophenyl)ethanimidamide?
The IUPAC name of N'-(2,4,5-trichlorophenyl)ethanimidamide (CID 63172908) is N'-(2,4,5-trichlorophenyl)ethanimidamide.
What is the SMILES notation for N'-(2,4,5-trichlorophenyl)ethanimidamide?
The canonical SMILES for N'-(2,4,5-trichlorophenyl)ethanimidamide is C/C(N)=N\c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N'-(2,4,5-trichlorophenyl)ethanimidamide?
The InChIKey is YZQLWIJLJFUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c1-4(12)13-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H2,12,13).
What are the key properties of N'-(2,4,5-trichlorophenyl)ethanimidamide?
N'-(2,4,5-trichlorophenyl)ethanimidamide has a molecular weight of 237.52 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,5-trichlorophenyl)ethanimidamide is sourced from PubChem (CID 63172908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).