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

C11H13Cl3N2 — CID 74054388

IUPACN'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride
SMILESCC/C(N)=N\C=Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H12Cl2N2.ClH/c1-2-11(14)15-6-5-8-3-4-9(12)10(13)7-8;/h3-7H,2H2,1H3,(H2,14,15);1H
InChIKeyVXHKZTNMICHGNR-UHFFFAOYSA-N
MW279.60 g/mol
LogP4.15
Rot. Bonds3

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

N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride (PubChem CID 74054388) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride
PubChem CID74054388
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC NameN'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride
SMILESCC/C(N)=N\C=Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H12Cl2N2.ClH/c1-2-11(14)15-6-5-8-3-4-9(12)10(13)7-8;/h3-7H,2H2,1H3,(H2,14,15);1H
InChIKeyVXHKZTNMICHGNR-UHFFFAOYSA-N
XLogP4.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 54.15
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'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
CID 23469646
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]cyclohexanecarboximidamide
CID 23469654
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylbutanimidamide
CID 70566201
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
3-(3,4-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 79346821
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
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride (CID 74054388) is N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride is CC/C(N)=N\C=Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride?
The InChIKey is VXHKZTNMICHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2.ClH/c1-2-11(14)15-6-5-8-3-4-9(12)10(13)7-8;/h3-7H,2H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride?
N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride has a molecular weight of 279.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride is sourced from PubChem (CID 74054388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).