N,N'-bis(4-chlorophenyl)methanediimine

C13H8Cl2N2 — CID 11076277

IUPACN,N'-bis(4-chlorophenyl)methanediimine
SMILESClc1ccc(N=C=Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8Cl2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H
InChIKeyZJYXSDOQOLLYFU-UHFFFAOYSA-N
MW263.13 g/mol
LogP5.13
Rot. Bonds2

About N,N'-bis(4-chlorophenyl)methanediimine

N,N'-bis(4-chlorophenyl)methanediimine (PubChem CID 11076277) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is N,N'-bis(4-chlorophenyl)methanediimine.

Molecular Properties

Compound NameN,N'-bis(4-chlorophenyl)methanediimine
PubChem CID11076277
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC NameN,N'-bis(4-chlorophenyl)methanediimine
SMILESClc1ccc(N=C=Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8Cl2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H
InChIKeyZJYXSDOQOLLYFU-UHFFFAOYSA-N
XLogP5.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.13
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chlorophenyl)methanediimine?
The IUPAC name of N,N'-bis(4-chlorophenyl)methanediimine (CID 11076277) is N,N'-bis(4-chlorophenyl)methanediimine.
What is the SMILES notation for N,N'-bis(4-chlorophenyl)methanediimine?
The canonical SMILES for N,N'-bis(4-chlorophenyl)methanediimine is Clc1ccc(N=C=Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N,N'-bis(4-chlorophenyl)methanediimine?
The InChIKey is ZJYXSDOQOLLYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H.
What are the key properties of N,N'-bis(4-chlorophenyl)methanediimine?
N,N'-bis(4-chlorophenyl)methanediimine has a molecular weight of 263.13 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chlorophenyl)methanediimine is sourced from PubChem (CID 11076277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).