2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride

C15H10Cl4N2 — CID 3302476

IUPAC2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
SMILESCl/C(=N\c1ccccc1)C(Cl)(Cl)/C(Cl)=N/c1ccccc1
InChIInChI=1S/C15H10Cl4N2/c16-13(20-11-7-3-1-4-8-11)15(18,19)14(17)21-12-9-5-2-6-10-12/h1-10H/b20-13-,21-14-
InChIKeyIOQLAUGPKPJPDF-NMGXZBPKSA-N
MW360.07 g/mol
LogP6.10
Rot. Bonds4

About 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride

2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride (PubChem CID 3302476) has the molecular formula C15H10Cl4N2 and a molecular weight of 360.07 g/mol. Its IUPAC name is 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride.

Molecular Properties

Compound Name2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
PubChem CID3302476
Molecular FormulaC15H10Cl4N2
Molecular Weight360.07 g/mol
Exact Mass357.96
IUPAC Name2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
SMILESCl/C(=N\c1ccccc1)C(Cl)(Cl)/C(Cl)=N/c1ccccc1
InChIInChI=1S/C15H10Cl4N2/c16-13(20-11-7-3-1-4-8-11)15(18,19)14(17)21-12-9-5-2-6-10-12/h1-10H/b20-13-,21-14-
InChIKeyIOQLAUGPKPJPDF-NMGXZBPKSA-N
XLogP6.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 56.10
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 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride?
The IUPAC name of 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride (CID 3302476) is 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride.
What is the SMILES notation for 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride?
The canonical SMILES for 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride is Cl/C(=N\c1ccccc1)C(Cl)(Cl)/C(Cl)=N/c1ccccc1.
What is the InChIKey of 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride?
The InChIKey is IOQLAUGPKPJPDF-NMGXZBPKSA-N. The full InChI is InChI=1S/C15H10Cl4N2/c16-13(20-11-7-3-1-4-8-11)15(18,19)14(17)21-12-9-5-2-6-10-12/h1-10H/b20-13-,21-14-.
What are the key properties of 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride?
2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride has a molecular weight of 360.07 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride is sourced from PubChem (CID 3302476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).