1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine

C13H7Cl4N — CID 3629789

IUPAC1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl4N/c14-9-2-1-8(12(16)5-9)7-18-10-3-4-11(15)13(17)6-10/h1-7H/b18-7+
InChIKeyFXKFFDUAJPCTKA-CNHKJKLMSA-N
MW319.02 g/mol
LogP6.05
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine

1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine (PubChem CID 3629789) has the molecular formula C13H7Cl4N and a molecular weight of 319.02 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
PubChem CID3629789
Molecular FormulaC13H7Cl4N
Molecular Weight319.02 g/mol
Exact Mass316.93
IUPAC Name1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl4N/c14-9-2-1-8(12(16)5-9)7-18-10-3-4-11(15)13(17)6-10/h1-7H/b18-7+
InChIKeyFXKFFDUAJPCTKA-CNHKJKLMSA-N
XLogP6.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.02
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine (CID 3629789) is 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine is Clc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is FXKFFDUAJPCTKA-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7Cl4N/c14-9-2-1-8(12(16)5-9)7-18-10-3-4-11(15)13(17)6-10/h1-7H/b18-7+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine has a molecular weight of 319.02 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 3629789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).