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

C13H8Cl3N — CID 689943

IUPAC1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-8H/b17-8+
InChIKeyRDQKMRWACXMJMD-CAOOACKPSA-N
MW284.57 g/mol
LogP5.40
Rot. Bonds2

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

1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine (PubChem CID 689943) has the molecular formula C13H8Cl3N and a molecular weight of 284.57 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
PubChem CID689943
Molecular FormulaC13H8Cl3N
Molecular Weight284.57 g/mol
Exact Mass282.97
IUPAC Name1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-8H/b17-8+
InChIKeyRDQKMRWACXMJMD-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine (CID 689943) is 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine is Clc1ccc(/N=C/c2ccccc2Cl)cc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is RDQKMRWACXMJMD-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl3N/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-8H/b17-8+.
What are the key properties of 1-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine?
1-(2-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-(2-chlorophenyl)-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 689943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).