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

C13H8Cl3N — CID 967950

IUPAC1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-8H/b17-8+
InChIKeyJKNNTFOQVFDRKC-CAOOACKPSA-N
MW284.57 g/mol
LogP5.40
Rot. Bonds2

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

1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine (PubChem CID 967950) has the molecular formula C13H8Cl3N and a molecular weight of 284.57 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
PubChem CID967950
Molecular FormulaC13H8Cl3N
Molecular Weight284.57 g/mol
Exact Mass282.97
IUPAC Name1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-8H/b17-8+
InChIKeyJKNNTFOQVFDRKC-CAOOACKPSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.57
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine (CID 967950) is 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine is Clc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is JKNNTFOQVFDRKC-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl3N/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-8H/b17-8+.
What are the key properties of 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine has a molecular weight of 284.57 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 967950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).