2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile

C16H10Cl2N4 — CID 19445

IUPAC2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile
SMILESN#CC(C#N)C(/N=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N4/c17-13-3-1-11(2-4-13)16(12(9-19)10-20)22-21-15-7-5-14(18)6-8-15/h1-8,12,16H/b22-21+
InChIKeyAZWDXLKWRGSEDS-QURGRASLSA-N
MW329.19 g/mol
LogP5.48
Rot. Bonds4

About 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile

2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile (PubChem CID 19445) has the molecular formula C16H10Cl2N4 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile
PubChem CID19445
Molecular FormulaC16H10Cl2N4
Molecular Weight329.19 g/mol
Exact Mass328.03
IUPAC Name2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile
SMILESN#CC(C#N)C(/N=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N4/c17-13-3-1-11(2-4-13)16(12(9-19)10-20)22-21-15-7-5-14(18)6-8-15/h1-8,12,16H/b22-21+
InChIKeyAZWDXLKWRGSEDS-QURGRASLSA-N
XLogP5.48
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile?
The IUPAC name of 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile (CID 19445) is 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile?
The canonical SMILES for 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile is N#CC(C#N)C(/N=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile?
The InChIKey is AZWDXLKWRGSEDS-QURGRASLSA-N. The full InChI is InChI=1S/C16H10Cl2N4/c17-13-3-1-11(2-4-13)16(12(9-19)10-20)22-21-15-7-5-14(18)6-8-15/h1-8,12,16H/b22-21+.
What are the key properties of 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile?
2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile has a molecular weight of 329.19 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[(4-chlorophenyl)diazenyl]methyl]propanedinitrile is sourced from PubChem (CID 19445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).