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

C13H8Cl3N — CID 918403

IUPACN-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-8H/b17-8+
InChIKeyVICCSUUWWDVJCE-CAOOACKPSA-N
MW284.57 g/mol
LogP5.40
Rot. Bonds2

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

N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine (PubChem CID 918403) has the molecular formula C13H8Cl3N and a molecular weight of 284.57 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine
PubChem CID918403
Molecular FormulaC13H8Cl3N
Molecular Weight284.57 g/mol
Exact Mass282.97
IUPAC NameN-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H8Cl3N/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-8H/b17-8+
InChIKeyVICCSUUWWDVJCE-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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Related Compounds

N-(2,4-Dichlorobenzylidene)aniline
CID 220149
N-(4-Chlorobenzylidene)aniline
CID 238776
4-Chloro-N-(4-chlorobenzylidene)aniline
CID 242845
N,N'-Bis(4-chlorobenzylidene)-1,4-phenylenediamine
CID 328193
N-(4-Methylbenzylidene)-3-chloroaniline
CID 525712
2,4-Dichlorobenzaldehyde phenylhydrazone
CID 9568231
N-(4-Chlorobenzylidene)-p-toluidine
CID 525683
N-(4-Methylbenzylidene)-4-chloroaniline
CID 525718
N-Benzylidene-4-chloroaniline
CID 96957
Benzenamine, 3,5-dichloro-N-[(4-fluorophenyl)methylene]-
CID 690809
N-Benzylidene-3-chloroaniline
CID 525549
3-Chloro-N-(4-chlorobenzylidene)aniline
CID 525677

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine (CID 918403) is N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine is Clc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is VICCSUUWWDVJCE-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl3N/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-8H/b17-8+.
What are the key properties of N-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine?
N-(4-chlorophenyl)-1-(2,4-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-(4-chlorophenyl)-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 918403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).