Home > Compound List > Compound details
7218-27-1 molecular structure
click picture or here to close

N-(2-chloroacetyl)benzamide

ChemBase ID: 231696
Molecular Formular: C9H8ClNO2
Molecular Mass: 197.61832
Monoisotopic Mass: 197.02435618
SMILES and InChIs

SMILES:
C(=O)(NC(=O)CCl)c1ccccc1
Canonical SMILES:
ClCC(=O)NC(=O)c1ccccc1
InChI:
InChI=1S/C9H8ClNO2/c10-6-8(12)11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13)
InChIKey:
ZDAYXLBYGPADRK-UHFFFAOYSA-N

Cite this record

CBID:231696 http://www.chembase.cn/molecule-231696.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-chloroacetyl)benzamide
IUPAC Traditional name
N-(2-chloroacetyl)benzamide
Synonyms
N-(2-Chloro-acetyl)-benzamide
CAS Number
7218-27-1
MDL Number
MFCD03978449
PubChem SID
164287606
PubChem CID
2431959

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-05621 external link Add to cart Please log in.
Data Source Data ID
PubChem 2431959 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.7569776  H Acceptors
H Donor LogD (pH = 5.5) 1.3272231 
LogD (pH = 7.4) 1.1736349  Log P 1.3498383 
Molar Refractivity 49.4555 cm3 Polarizability 18.794981 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
157 - 159°C expand Show data source
Hydrophobicity(logP)
1.284 expand Show data source
Purity
95% expand Show data source

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