3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride

C15H14Cl4N2 — CID 44531260

IUPAC3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3N2.ClH/c16-12-4-1-10(2-5-12)7-8-20-15(19)11-3-6-13(17)14(18)9-11;/h1-6,9H,7-8H2,(H2,19,20);1H
InChIKeyWNXJCYWTFUOLTD-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.02
Rot. Bonds4

About 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride

3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride (PubChem CID 44531260) has the molecular formula C15H14Cl4N2 and a molecular weight of 364.10 g/mol. Its IUPAC name is 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride
PubChem CID44531260
Molecular FormulaC15H14Cl4N2
Molecular Weight364.10 g/mol
Exact Mass361.99
IUPAC Name3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3N2.ClH/c16-12-4-1-10(2-5-12)7-8-20-15(19)11-3-6-13(17)14(18)9-11;/h1-6,9H,7-8H2,(H2,19,20);1H
InChIKeyWNXJCYWTFUOLTD-UHFFFAOYSA-N
XLogP5.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.02
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 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride (CID 44531260) is 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride is Cl.N/C(=N\CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is WNXJCYWTFUOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2.ClH/c16-12-4-1-10(2-5-12)7-8-20-15(19)11-3-6-13(17)14(18)9-11;/h1-6,9H,7-8H2,(H2,19,20);1H.
What are the key properties of 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride?
3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride has a molecular weight of 364.10 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 44531260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).