N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine

C13H8BrCl2N — CID 955609

IUPACN-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H/b17-8+
InChIKeyVMLIQUBRQZTNBD-CAOOACKPSA-N
MW329.02 g/mol
LogP5.51
Rot. Bonds2

About N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine

N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine (PubChem CID 955609) has the molecular formula C13H8BrCl2N and a molecular weight of 329.02 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine
PubChem CID955609
Molecular FormulaC13H8BrCl2N
Molecular Weight329.02 g/mol
Exact Mass326.92
IUPAC NameN-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H/b17-8+
InChIKeyVMLIQUBRQZTNBD-CAOOACKPSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.02
LogP ≤ 55.51
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-bromophenyl)-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine (CID 955609) is N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine is Clc1ccc(/C=N/c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is VMLIQUBRQZTNBD-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H/b17-8+.
What are the key properties of N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine?
N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 329.02 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 955609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).