(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine

C14H8Cl4N2 — CID 6861497

IUPAC(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine
SMILESClc1ccc(/C=N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4N2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-8H/b19-7+,20-8+
InChIKeyVOXSRYYLVMOEEL-OKXCLTPOSA-N
MW346.04 g/mol
LogP5.75
Rot. Bonds3

About (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine

(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine (PubChem CID 6861497) has the molecular formula C14H8Cl4N2 and a molecular weight of 346.04 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine
PubChem CID6861497
Molecular FormulaC14H8Cl4N2
Molecular Weight346.04 g/mol
Exact Mass343.94
IUPAC Name(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine
SMILESClc1ccc(/C=N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4N2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-8H/b19-7+,20-8+
InChIKeyVOXSRYYLVMOEEL-OKXCLTPOSA-N
XLogP5.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine (CID 6861497) is (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine is Clc1ccc(/C=N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine?
The InChIKey is VOXSRYYLVMOEEL-OKXCLTPOSA-N. The full InChI is InChI=1S/C14H8Cl4N2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-8H/b19-7+,20-8+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine?
(E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine has a molecular weight of 346.04 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]methanimine is sourced from PubChem (CID 6861497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).