Home > Compound List > Compound details
22504-02-5 molecular structure
click picture or here to close

2-chloro-N-(2-phenoxyphenyl)acetamide

ChemBase ID: 30390
Molecular Formular: C14H12ClNO2
Molecular Mass: 261.70358
Monoisotopic Mass: 261.05565631
SMILES and InChIs

SMILES:
N(c1c(Oc2ccccc2)cccc1)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccccc1Oc1ccccc1
InChI:
InChI=1S/C14H12ClNO2/c15-10-14(17)16-12-8-4-5-9-13(12)18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey:
HPKJQYQYTRARFB-UHFFFAOYSA-N

Cite this record

CBID:30390 http://www.chembase.cn/molecule-30390.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2-phenoxyphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2-phenoxyphenyl)acetamide
Synonyms
2-Chloro-N-(2-phenoxy-phenyl)-acetamide
2-chloro-N-(2-phenoxyphenyl)acetamide
CAS Number
22504-02-5
MDL Number
MFCD00506451
PubChem SID
160993697
PubChem CID
918777

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 918777 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.886881  H Acceptors
H Donor LogD (pH = 5.5) 3.248587 
LogD (pH = 7.4) 3.2485738  Log P 3.2485871 
Molar Refractivity 71.915 cm3 Polarizability 27.356268 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.282 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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