2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide

C8H6Cl4N2 — CID 169365543

IUPAC2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4N2/c9-3-6(13)14-5-2-1-4(10)7(11)8(5)12/h1-2H,3H2,(H2,13,14)
InChIKeyXMPJOMOJQZUTDT-UHFFFAOYSA-N
MW271.96 g/mol
LogP3.87
Rot. Bonds2

About 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide

2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide (PubChem CID 169365543) has the molecular formula C8H6Cl4N2 and a molecular weight of 271.96 g/mol. Its IUPAC name is 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
PubChem CID169365543
Molecular FormulaC8H6Cl4N2
Molecular Weight271.96 g/mol
Exact Mass269.93
IUPAC Name2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4N2/c9-3-6(13)14-5-2-1-4(10)7(11)8(5)12/h1-2H,3H2,(H2,13,14)
InChIKeyXMPJOMOJQZUTDT-UHFFFAOYSA-N
XLogP3.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169366495
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
CID 169366374
2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
N'-(4-bromo-2,3-dichlorophenyl)butanimidamide
CID 107794166
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide (CID 169365543) is 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide is N/C(CCl)=N/c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide?
The InChIKey is XMPJOMOJQZUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4N2/c9-3-6(13)14-5-2-1-4(10)7(11)8(5)12/h1-2H,3H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide?
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide has a molecular weight of 271.96 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide is sourced from PubChem (CID 169365543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).