N'-(4-chlorophenyl)-N-phenylmethanediimine

C13H9ClN2 — CID 10537352

IUPACN'-(4-chlorophenyl)-N-phenylmethanediimine
SMILESClc1ccc(N=C=Nc2ccccc2)cc1
InChIInChI=1S/C13H9ClN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9H
InChIKeySBDHXQVQMKLIAL-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.48
Rot. Bonds2

About N'-(4-chlorophenyl)-N-phenylmethanediimine

N'-(4-chlorophenyl)-N-phenylmethanediimine (PubChem CID 10537352) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-phenylmethanediimine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-phenylmethanediimine
PubChem CID10537352
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC NameN'-(4-chlorophenyl)-N-phenylmethanediimine
SMILESClc1ccc(N=C=Nc2ccccc2)cc1
InChIInChI=1S/C13H9ClN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9H
InChIKeySBDHXQVQMKLIAL-UHFFFAOYSA-N
XLogP4.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-(4-chlorophenyl)-N-phenylmethanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-phenylmethanediimine?
The IUPAC name of N'-(4-chlorophenyl)-N-phenylmethanediimine (CID 10537352) is N'-(4-chlorophenyl)-N-phenylmethanediimine.
What is the SMILES notation for N'-(4-chlorophenyl)-N-phenylmethanediimine?
The canonical SMILES for N'-(4-chlorophenyl)-N-phenylmethanediimine is Clc1ccc(N=C=Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-phenylmethanediimine?
The InChIKey is SBDHXQVQMKLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9H.
What are the key properties of N'-(4-chlorophenyl)-N-phenylmethanediimine?
N'-(4-chlorophenyl)-N-phenylmethanediimine has a molecular weight of 228.68 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-phenylmethanediimine is sourced from PubChem (CID 10537352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).