N,N'-bis(4-chlorophenyl)ethane-1,2-diimine

C14H10Cl2N2 — CID 15253058

IUPACN,N'-bis(4-chlorophenyl)ethane-1,2-diimine
SMILESClc1ccc(/N=C/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10Cl2N2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-10H/b17-9+,18-10+
InChIKeyHCRGOAUGEOERRC-BEQMOXJMSA-N
MW277.15 g/mol
LogP5.10
Rot. Bonds3

About N,N'-bis(4-chlorophenyl)ethane-1,2-diimine

N,N'-bis(4-chlorophenyl)ethane-1,2-diimine (PubChem CID 15253058) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N,N'-bis(4-chlorophenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(4-chlorophenyl)ethane-1,2-diimine
PubChem CID15253058
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC NameN,N'-bis(4-chlorophenyl)ethane-1,2-diimine
SMILESClc1ccc(/N=C/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10Cl2N2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-10H/b17-9+,18-10+
InChIKeyHCRGOAUGEOERRC-BEQMOXJMSA-N
XLogP5.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.15
LogP ≤ 55.10
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)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(4-chlorophenyl)ethane-1,2-diimine (CID 15253058) is N,N'-bis(4-chlorophenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(4-chlorophenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(4-chlorophenyl)ethane-1,2-diimine is Clc1ccc(/N=C/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N,N'-bis(4-chlorophenyl)ethane-1,2-diimine?
The InChIKey is HCRGOAUGEOERRC-BEQMOXJMSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-10H/b17-9+,18-10+.
What are the key properties of N,N'-bis(4-chlorophenyl)ethane-1,2-diimine?
N,N'-bis(4-chlorophenyl)ethane-1,2-diimine has a molecular weight of 277.15 g/mol, XLogP of 5.10, 3 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)ethane-1,2-diimine is sourced from PubChem (CID 15253058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).