2-bromo-N-(4-bromophenyl)-N-methylacetamide

C9H9Br2NO — CID 174990155

IUPAC2-bromo-N-(4-bromophenyl)-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyGSIDRYFLEATZPJ-UHFFFAOYSA-N
MW306.99 g/mol
LogP2.81
Rot. Bonds2

About 2-bromo-N-(4-bromophenyl)-N-methylacetamide

2-bromo-N-(4-bromophenyl)-N-methylacetamide (PubChem CID 174990155) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)-N-methylacetamide
PubChem CID174990155
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-bromo-N-(4-bromophenyl)-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(Br)cc1
InChIInChI=1S/C9H9Br2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyGSIDRYFLEATZPJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-bromophenyl)-N-methylacetamide 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-(4-bromophenyl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)-N-methylacetamide (CID 174990155) is 2-bromo-N-(4-bromophenyl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)-N-methylacetamide is CN(C(=O)CBr)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)-N-methylacetamide?
The InChIKey is GSIDRYFLEATZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 2-bromo-N-(4-bromophenyl)-N-methylacetamide?
2-bromo-N-(4-bromophenyl)-N-methylacetamide has a molecular weight of 306.99 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)-N-methylacetamide is sourced from PubChem (CID 174990155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).