2-bromo-N-(bromomethyl)-N-phenylacetamide

C9H9Br2NO — CID 67892280

IUPAC2-bromo-N-(bromomethyl)-N-phenylacetamide
SMILESO=C(CBr)N(CBr)c1ccccc1
InChIInChI=1S/C9H9Br2NO/c10-6-9(13)12(7-11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFJARLXBGXNBZAB-UHFFFAOYSA-N
MW306.99 g/mol
LogP2.77
Rot. Bonds3

About 2-bromo-N-(bromomethyl)-N-phenylacetamide

2-bromo-N-(bromomethyl)-N-phenylacetamide (PubChem CID 67892280) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-bromo-N-(bromomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-bromo-N-(bromomethyl)-N-phenylacetamide
PubChem CID67892280
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-bromo-N-(bromomethyl)-N-phenylacetamide
SMILESO=C(CBr)N(CBr)c1ccccc1
InChIInChI=1S/C9H9Br2NO/c10-6-9(13)12(7-11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFJARLXBGXNBZAB-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(bromomethyl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(bromomethyl)-N-phenylacetamide
CID 67904201
2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 14292484
hydroxymethyl(phenyl)carbamic acid
CID 69165687
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide
CID 71490575
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
2-(2-aminoethoxy)-N-benzyl-N-phenylacetamide
CID 79480179
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-amino-N-(2,2-dihydroxyethyl)-N-phenylacetamide
CID 154151689

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(bromomethyl)-N-phenylacetamide?
The IUPAC name of 2-bromo-N-(bromomethyl)-N-phenylacetamide (CID 67892280) is 2-bromo-N-(bromomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-bromo-N-(bromomethyl)-N-phenylacetamide?
The canonical SMILES for 2-bromo-N-(bromomethyl)-N-phenylacetamide is O=C(CBr)N(CBr)c1ccccc1.
What is the InChIKey of 2-bromo-N-(bromomethyl)-N-phenylacetamide?
The InChIKey is FJARLXBGXNBZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c10-6-9(13)12(7-11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-bromo-N-(bromomethyl)-N-phenylacetamide?
2-bromo-N-(bromomethyl)-N-phenylacetamide has a molecular weight of 306.99 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(bromomethyl)-N-phenylacetamide is sourced from PubChem (CID 67892280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).