N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine

C17H11BrClN — CID 4580179

IUPACN-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
SMILESClc1cc(/N=C/c2cccc3ccccc23)ccc1Br
InChIInChI=1S/C17H11BrClN/c18-16-9-8-14(10-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b20-11+
InChIKeyKSZGCQZORCXQET-RGVLZGJSSA-N
MW344.64 g/mol
LogP6.01
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine

N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine (PubChem CID 4580179) has the molecular formula C17H11BrClN and a molecular weight of 344.64 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
PubChem CID4580179
Molecular FormulaC17H11BrClN
Molecular Weight344.64 g/mol
Exact Mass342.98
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
SMILESClc1cc(/N=C/c2cccc3ccccc23)ccc1Br
InChIInChI=1S/C17H11BrClN/c18-16-9-8-14(10-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b20-11+
InChIKeyKSZGCQZORCXQET-RGVLZGJSSA-N
XLogP6.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.64
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine 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-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine (CID 4580179) is N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine is Clc1cc(/N=C/c2cccc3ccccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine?
The InChIKey is KSZGCQZORCXQET-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H11BrClN/c18-16-9-8-14(10-17(16)19)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H/b20-11+.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine?
N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine has a molecular weight of 344.64 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 4580179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).