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

C12H15Cl3N2 — CID 23469646

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
SMILESCCC/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H14Cl2N2.ClH/c1-2-3-12(15)16-7-6-9-4-5-10(13)11(14)8-9;/h4-8H,2-3H2,1H3,(H2,15,16);1H/b7-6+;
InChIKeySSWFAKNDAFGWPG-UHDJGPCESA-N
MW293.62 g/mol
LogP4.54
Rot. Bonds4

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

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride (PubChem CID 23469646) has the molecular formula C12H15Cl3N2 and a molecular weight of 293.62 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
PubChem CID23469646
Molecular FormulaC12H15Cl3N2
Molecular Weight293.62 g/mol
Exact Mass292.03
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
SMILESCCC/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H14Cl2N2.ClH/c1-2-3-12(15)16-7-6-9-4-5-10(13)11(14)8-9;/h4-8H,2-3H2,1H3,(H2,15,16);1H/b7-6+;
InChIKeySSWFAKNDAFGWPG-UHDJGPCESA-N
XLogP4.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 54.54
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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Related Compounds

N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride
CID 74054388
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
CID 23469591
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide
CID 23469608
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylbutanimidamide
CID 70566201
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide
CID 23469654
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
3-(3,4-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 79346821
[[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]thiourea
CID 131859994
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008261

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride (CID 23469646) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride is CCC/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride?
The InChIKey is SSWFAKNDAFGWPG-UHDJGPCESA-N. The full InChI is InChI=1S/C12H14Cl2N2.ClH/c1-2-3-12(15)16-7-6-9-4-5-10(13)11(14)8-9;/h4-8H,2-3H2,1H3,(H2,15,16);1H/b7-6+;.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride has a molecular weight of 293.62 g/mol, XLogP of 4.54, 4 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]butanimidamide;hydrochloride is sourced from PubChem (CID 23469646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).