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

C13H8Cl3N — CID 3653632

IUPACN-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H8Cl3N/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-8H/b17-8+
InChIKeyLUEKZSHAWOLORM-CAOOACKPSA-N
MW284.57 g/mol
LogP5.40
Rot. Bonds2

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

N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine (PubChem CID 3653632) has the molecular formula C13H8Cl3N and a molecular weight of 284.57 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine
PubChem CID3653632
Molecular FormulaC13H8Cl3N
Molecular Weight284.57 g/mol
Exact Mass282.97
IUPAC NameN-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H8Cl3N/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-8H/b17-8+
InChIKeyLUEKZSHAWOLORM-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 N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine (CID 3653632) is N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine is Clc1cccc(/N=C/c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine?
The InChIKey is LUEKZSHAWOLORM-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl3N/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-8H/b17-8+.
What are the key properties of N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine?
N-(3-chlorophenyl)-1-(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 N-(3-chlorophenyl)-1-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 3653632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).