Home > Compound List > Compound details
1017022-11-5 molecular structure
click picture or here to close

2-amino-N-(4-bromo-2-fluorophenyl)acetamide

ChemBase ID: 308351
Molecular Formular: C8H8BrFN2O
Molecular Mass: 247.0643232
Monoisotopic Mass: 245.98040311
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)Br)F)C(=O)CN
Canonical SMILES:
NCC(=O)Nc1ccc(cc1F)Br
InChI:
InChI=1S/C8H8BrFN2O/c9-5-1-2-7(6(10)3-5)12-8(13)4-11/h1-3H,4,11H2,(H,12,13)
InChIKey:
WVYGKIWIPJOTKI-UHFFFAOYSA-N

Cite this record

CBID:308351 http://www.chembase.cn/molecule-308351.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(4-bromo-2-fluorophenyl)acetamide
IUPAC Traditional name
2-amino-N-(4-bromo-2-fluorophenyl)acetamide
Synonyms
N~1~-(4-bromo-2-fluorophenyl)glycinamide
CAS Number
1017022-11-5
MDL Number
MFCD09940170

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4029071 external link Add to cart
Data Source Data ID Price
ChemBridge
4029071 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 52.1199 cm3 Polarizability 19.406424 Å3
Polar Surface Area 55.12 Å2 H Acceptors
H Donor LogD (pH = 5.5) -1.174691 
LogD (pH = 7.4) 0.5194683  Log P 1.1982809 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle