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

C13H8Cl3N — CID 4521249

IUPAC1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-6-4-9(5-7-10)8-17-12-3-1-2-11(15)13(12)16/h1-8H/b17-8+
InChIKeyUTFSQGRGASWUIT-CAOOACKPSA-N
MW284.57 g/mol
LogP5.40
Rot. Bonds2

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

1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine (PubChem CID 4521249) has the molecular formula C13H8Cl3N and a molecular weight of 284.57 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine
PubChem CID4521249
Molecular FormulaC13H8Cl3N
Molecular Weight284.57 g/mol
Exact Mass282.97
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-6-4-9(5-7-10)8-17-12-3-1-2-11(15)13(12)16/h1-8H/b17-8+
InChIKeyUTFSQGRGASWUIT-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-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine (CID 4521249) is 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine is Clc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine?
The InChIKey is UTFSQGRGASWUIT-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl3N/c14-10-6-4-9(5-7-10)8-17-12-3-1-2-11(15)13(12)16/h1-8H/b17-8+.
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dichlorophenyl)methanimine?
1-(4-chlorophenyl)-N-(2,3-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-(2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 4521249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).