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

C13H9Cl2N — CID 525677

IUPACN-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2N/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H/b16-9+
InChIKeyNNWYYLJSAVGNSF-CXUHLZMHSA-N
MW250.13 g/mol
LogP4.74
Rot. Bonds2

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

N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine (PubChem CID 525677) has the molecular formula C13H9Cl2N and a molecular weight of 250.13 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine
PubChem CID525677
Molecular FormulaC13H9Cl2N
Molecular Weight250.13 g/mol
Exact Mass249.01
IUPAC NameN-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H9Cl2N/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H/b16-9+
InChIKeyNNWYYLJSAVGNSF-CXUHLZMHSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 54.74
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-Benzylideneaniline
CID 10858
N-(2,4-Dichlorobenzylidene)aniline
CID 220149
N-(4-Chlorobenzylidene)aniline
CID 238776
4-Chloro-N-(4-chlorobenzylidene)aniline
CID 242845
4-Chlorobenzaldehyde 1-phenylhydrazone
CID 5368708
N,N'-Bis(4-chlorobenzylidene)-1,4-phenylenediamine
CID 328193
4-Chlorobenzaldehyde phenylhydrazone
CID 346538
N-(4-Methylbenzylidene)-3-chloroaniline
CID 525712
N-(4-Chlorobenzylidene)-p-toluidine
CID 525683
N-(4-Methylbenzylidene)-4-chloroaniline
CID 525718
N-Benzylidene-4-chloroaniline
CID 96957
1-(4-Chlorobenzylidene)-2-phenylhydrazine
CID 9566472

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine (CID 525677) is N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine is Clc1ccc(/C=N/c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine?
The InChIKey is NNWYYLJSAVGNSF-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9Cl2N/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H/b16-9+.
What are the key properties of N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine?
N-(3-chlorophenyl)-1-(4-chlorophenyl)methanimine has a molecular weight of 250.13 g/mol, XLogP of 4.74, 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-(4-chlorophenyl)methanimine is sourced from PubChem (CID 525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).