N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride

C10H11Cl3N2 — CID 23469591

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H10Cl2N2.ClH/c1-7(13)14-5-4-8-2-3-9(11)10(12)6-8;/h2-6H,1H3,(H2,13,14);1H/b5-4+;
InChIKeyWKVITXMDLSYBHD-FXRZFVDSSA-N
MW265.57 g/mol
LogP3.76
Rot. Bonds2

About N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride (PubChem CID 23469591) has the molecular formula C10H11Cl3N2 and a molecular weight of 265.57 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
PubChem CID23469591
Molecular FormulaC10H11Cl3N2
Molecular Weight265.57 g/mol
Exact Mass264.00
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H10Cl2N2.ClH/c1-7(13)14-5-4-8-2-3-9(11)10(12)6-8;/h2-6H,1H3,(H2,13,14);1H/b5-4+;
InChIKeyWKVITXMDLSYBHD-FXRZFVDSSA-N
XLogP3.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 53.76
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'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride (CID 23469591) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride is C/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride?
The InChIKey is WKVITXMDLSYBHD-FXRZFVDSSA-N. The full InChI is InChI=1S/C10H10Cl2N2.ClH/c1-7(13)14-5-4-8-2-3-9(11)10(12)6-8;/h2-6H,1H3,(H2,13,14);1H/b5-4+;.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride has a molecular weight of 265.57 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 23469591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).