Home > Compound List > Compound details
2011-70-3 molecular structure
click picture or here to close

N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide

ChemBase ID: 175231
Molecular Formular: C15H11BrN2O4
Molecular Mass: 363.16284
Monoisotopic Mass: 361.99021884
SMILES and InChIs

SMILES:
c1(ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-])NC(=O)CBr
Canonical SMILES:
BrCC(=O)Nc1ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-]
InChI:
InChI=1S/C15H11BrN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
InChIKey:
USZJZGVAIGKLRF-UHFFFAOYSA-N

Cite this record

CBID:175231 http://www.chembase.cn/molecule-175231.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide
IUPAC Traditional name
N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide
Synonyms
5-Nitro-2-(bromoacetamido)benzophenone
N-(2-Benzoyl-4-nitrophenyl)-2-bromoacetamide
2'-Benzoyl-2-bromo-4'-nitroacetanilide
CAS Number
2011-70-3
PubChem SID
164231141
PubChem CID
3034124

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N495805 external link Add to cart
PubChem 3034124 external link
Data Source Data ID Price
TRC
N495805 external link Add to cart Please log in.
Data Source Data ID
PubChem 3034124 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.951256  H Acceptors
H Donor LogD (pH = 5.5) 3.9831324 
LogD (pH = 7.4) 3.983121  Log P 3.9831326 
Molar Refractivity 86.5579 cm3 Polarizability 31.528238 Å3
Polar Surface Area 91.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Dimethyl Sulfoxide expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Pale-Yellow Solid expand Show data source
Melting Point
156-158°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N495805 external link
Nitrazepam derivative.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hagishita, S., et al.: Bioorg. Med. Chem., 5, 1433 (1997)
  • • Amblard, M., et al.: J. Med. Chem., 42, 4185 (1997)
  • • Schafferhans, A., et al.: J. Mol. Biol., 307, 407 (2001).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle