N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine

C13H7Cl4N — CID 23329324

IUPACN-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl4N/c14-8-1-3-10(4-2-8)18-7-11-12(16)5-9(15)6-13(11)17/h1-7H/b18-7+
InChIKeyIYAJZAYFAAORKV-CNHKJKLMSA-N
MW319.02 g/mol
LogP6.05
Rot. Bonds2

About N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine

N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine (PubChem CID 23329324) has the molecular formula C13H7Cl4N and a molecular weight of 319.02 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
PubChem CID23329324
Molecular FormulaC13H7Cl4N
Molecular Weight319.02 g/mol
Exact Mass316.93
IUPAC NameN-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H7Cl4N/c14-8-1-3-10(4-2-8)18-7-11-12(16)5-9(15)6-13(11)17/h1-7H/b18-7+
InChIKeyIYAJZAYFAAORKV-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 N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine (CID 23329324) is N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine is Clc1ccc(/N=C/c2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine?
The InChIKey is IYAJZAYFAAORKV-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7Cl4N/c14-8-1-3-10(4-2-8)18-7-11-12(16)5-9(15)6-13(11)17/h1-7H/b18-7+.
What are the key properties of N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine?
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)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 N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine is sourced from PubChem (CID 23329324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).