N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline

C13H11BrClN3 — CID 135074676

IUPACN-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline
SMILESCN(/N=N/c1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C13H11BrClN3/c1-18(11-5-3-2-4-6-11)17-16-13-8-7-10(15)9-12(13)14/h2-9H,1H3/b17-16+
InChIKeyQCWJALTVZPCEAS-WUKNDPDISA-N
MW324.61 g/mol
LogP5.24
Rot. Bonds3

About N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline

N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline (PubChem CID 135074676) has the molecular formula C13H11BrClN3 and a molecular weight of 324.61 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline
PubChem CID135074676
Molecular FormulaC13H11BrClN3
Molecular Weight324.61 g/mol
Exact Mass322.98
IUPAC NameN-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline
SMILESCN(/N=N/c1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C13H11BrClN3/c1-18(11-5-3-2-4-6-11)17-16-13-8-7-10(15)9-12(13)14/h2-9H,1H3/b17-16+
InChIKeyQCWJALTVZPCEAS-WUKNDPDISA-N
XLogP5.24
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline (CID 135074676) is N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline is CN(/N=N/c1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline?
The InChIKey is QCWJALTVZPCEAS-WUKNDPDISA-N. The full InChI is InChI=1S/C13H11BrClN3/c1-18(11-5-3-2-4-6-11)17-16-13-8-7-10(15)9-12(13)14/h2-9H,1H3/b17-16+.
What are the key properties of N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline?
N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline has a molecular weight of 324.61 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)diazenyl]-N-methylaniline is sourced from PubChem (CID 135074676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).