2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride

C15H14Cl2N2 — CID 70596663

IUPAC2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
SMILESCl.ClC(/C=N/c1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-13H;1H/b17-11+,18-12+;
InChIKeyXQVGFRDUAKLWFL-OYJDLGDISA-N
MW293.20 g/mol
LogP4.82
Rot. Bonds4

About 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride

2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride (PubChem CID 70596663) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
PubChem CID70596663
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
SMILESCl.ClC(/C=N/c1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-13H;1H/b17-11+,18-12+;
InChIKeyXQVGFRDUAKLWFL-OYJDLGDISA-N
XLogP4.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride?
The IUPAC name of 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride (CID 70596663) is 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride?
The canonical SMILES for 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride is Cl.ClC(/C=N/c1ccccc1)/C=N/c1ccccc1.
What is the InChIKey of 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride?
The InChIKey is XQVGFRDUAKLWFL-OYJDLGDISA-N. The full InChI is InChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-13H;1H/b17-11+,18-12+;.
What are the key properties of 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride?
2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride has a molecular weight of 293.20 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride is sourced from PubChem (CID 70596663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).