1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine

C14H8Cl4N2 — CID 3878452

IUPAC1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine
SMILESClc1cc(Cl)cc(C=NN=Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8Cl4N2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-8H
InChIKeySGTASRZEJCNRDB-UHFFFAOYSA-N
MW346.04 g/mol
LogP5.75
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine

1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine (PubChem CID 3878452) has the molecular formula C14H8Cl4N2 and a molecular weight of 346.04 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine
PubChem CID3878452
Molecular FormulaC14H8Cl4N2
Molecular Weight346.04 g/mol
Exact Mass343.94
IUPAC Name1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine
SMILESClc1cc(Cl)cc(C=NN=Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8Cl4N2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-8H
InChIKeySGTASRZEJCNRDB-UHFFFAOYSA-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 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine (CID 3878452) is 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine is Clc1cc(Cl)cc(C=NN=Cc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine?
The InChIKey is SGTASRZEJCNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-8H.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine?
1-(3,5-dichlorophenyl)-N-[(3,5-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 1-(3,5-dichlorophenyl)-N-[(3,5-dichlorophenyl)methylideneamino]methanimine is sourced from PubChem (CID 3878452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).