4-(2-bromophenyl)-3-chloroaniline

C12H9BrClN — CID 107615953

IUPAC4-(2-bromophenyl)-3-chloroaniline
SMILESNc1ccc(-c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H,15H2
InChIKeyNEQUSZUIAYQMBY-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.35
Rot. Bonds1

About 4-(2-bromophenyl)-3-chloroaniline

4-(2-bromophenyl)-3-chloroaniline (PubChem CID 107615953) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-chloroaniline
PubChem CID107615953
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name4-(2-bromophenyl)-3-chloroaniline
SMILESNc1ccc(-c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H,15H2
InChIKeyNEQUSZUIAYQMBY-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-bromophenyl)-3-chloroaniline 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 4-(2-bromophenyl)-3-chloroaniline?
The IUPAC name of 4-(2-bromophenyl)-3-chloroaniline (CID 107615953) is 4-(2-bromophenyl)-3-chloroaniline.
What is the SMILES notation for 4-(2-bromophenyl)-3-chloroaniline?
The canonical SMILES for 4-(2-bromophenyl)-3-chloroaniline is Nc1ccc(-c2ccccc2Br)c(Cl)c1.
What is the InChIKey of 4-(2-bromophenyl)-3-chloroaniline?
The InChIKey is NEQUSZUIAYQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7H,15H2.
What are the key properties of 4-(2-bromophenyl)-3-chloroaniline?
4-(2-bromophenyl)-3-chloroaniline has a molecular weight of 282.57 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-chloroaniline is sourced from PubChem (CID 107615953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).