2-bromo-N-(2-bromophenyl)aniline

C12H9Br2N — CID 4657530

IUPAC2-bromo-N-(2-bromophenyl)aniline
SMILESBrc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C12H9Br2N/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H
InChIKeyBJPIBICIVXDVHC-UHFFFAOYSA-N
MW327.02 g/mol
LogP4.96
Rot. Bonds2

About 2-bromo-N-(2-bromophenyl)aniline

2-bromo-N-(2-bromophenyl)aniline (PubChem CID 4657530) has the molecular formula C12H9Br2N and a molecular weight of 327.02 g/mol. Its IUPAC name is 2-bromo-N-(2-bromophenyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromophenyl)aniline
PubChem CID4657530
Molecular FormulaC12H9Br2N
Molecular Weight327.02 g/mol
Exact Mass324.91
IUPAC Name2-bromo-N-(2-bromophenyl)aniline
SMILESBrc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C12H9Br2N/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H
InChIKeyBJPIBICIVXDVHC-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-(2-bromophenyl)aniline 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 2-bromo-N-(2-bromophenyl)aniline?
The IUPAC name of 2-bromo-N-(2-bromophenyl)aniline (CID 4657530) is 2-bromo-N-(2-bromophenyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-bromophenyl)aniline?
The canonical SMILES for 2-bromo-N-(2-bromophenyl)aniline is Brc1ccccc1Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromophenyl)aniline?
The InChIKey is BJPIBICIVXDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H.
What are the key properties of 2-bromo-N-(2-bromophenyl)aniline?
2-bromo-N-(2-bromophenyl)aniline has a molecular weight of 327.02 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromophenyl)aniline is sourced from PubChem (CID 4657530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).