N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine

C13H8Cl2FN — CID 690809

IUPACN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H8Cl2FN/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h1-8H/b17-8+
InChIKeyJANXXARWZJZKBL-CAOOACKPSA-N
MW268.12 g/mol
LogP4.88
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine

N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine (PubChem CID 690809) has the molecular formula C13H8Cl2FN and a molecular weight of 268.12 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine
PubChem CID690809
Molecular FormulaC13H8Cl2FN
Molecular Weight268.12 g/mol
Exact Mass267.00
IUPAC NameN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H8Cl2FN/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h1-8H/b17-8+
InChIKeyJANXXARWZJZKBL-CAOOACKPSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 54.88
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
N-(4-Chlorobenzylidene)-p-toluidine
CID 525683
N-(4-Methylbenzylidene)-4-chloroaniline
CID 525718
N-Benzylidene-4-chloroaniline
CID 96957
N-Benzylidene-3-chloroaniline
CID 525549
N-(4-Fluorobenzylidene)aniline
CID 918392
3-Chloro-N-(4-chlorobenzylidene)aniline
CID 525677
N'-(3-chlorophenyl)-N-[(3-chlorophenyl)methylidene]methanimidamide
CID 9604992

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine (CID 690809) is N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine is Fc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine?
The InChIKey is JANXXARWZJZKBL-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Cl2FN/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h1-8H/b17-8+.
What are the key properties of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine?
N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine has a molecular weight of 268.12 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 690809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).