ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride

C10H12Cl3NO — CID 12689988

IUPACethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C10H11Cl2NO.ClH/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12;/h3-4,6,13H,2,5H2,1H3;1H/b13-10-;
InChIKeyFQIXPCVIZGBYQO-ALUHPYBCSA-N
MW268.57 g/mol
LogP3.97
Rot. Bonds3

About ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride

ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride (PubChem CID 12689988) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
PubChem CID12689988
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Nameethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C10H11Cl2NO.ClH/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12;/h3-4,6,13H,2,5H2,1H3;1H/b13-10-;
InChIKeyFQIXPCVIZGBYQO-ALUHPYBCSA-N
XLogP3.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride (CID 12689988) is ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1ccc(Cl)cc1Cl)OCC.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride?
The InChIKey is FQIXPCVIZGBYQO-ALUHPYBCSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12;/h3-4,6,13H,2,5H2,1H3;1H/b13-10-;.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride?
ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride is sourced from PubChem (CID 12689988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).