Home > Compound List > Compound details
MFCD06672957 molecular structure
click picture or here to close

N-{4-[(2-cyanophenyl)methoxy]phenyl}acetamide

ChemBase ID: 40941
Molecular Formular: C16H14N2O2
Molecular Mass: 266.29456
Monoisotopic Mass: 266.1055277
SMILES and InChIs

SMILES:
c1cc(ccc1OCc1ccccc1C#N)NC(=O)C
Canonical SMILES:
N#Cc1ccccc1COc1ccc(cc1)NC(=O)C
InChI:
InChI=1S/C16H14N2O2/c1-12(19)18-15-6-8-16(9-7-15)20-11-14-5-3-2-4-13(14)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKey:
MOTMUKZDEFHCLT-UHFFFAOYSA-N

Cite this record

CBID:40941 http://www.chembase.cn/molecule-40941.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{4-[(2-cyanophenyl)methoxy]phenyl}acetamide
IUPAC Traditional name
N-{4-[(2-cyanophenyl)methoxy]phenyl}acetamide
Synonyms
N-{4-[(2-Cyanobenzyl)oxy]phenyl}acetamide
MDL Number
MFCD06672957
PubChem SID
162045704
PubChem CID
2557960

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2557960 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.963083  H Acceptors
H Donor LogD (pH = 5.5) 2.6338542 
LogD (pH = 7.4) 2.6338542  Log P 2.6338542 
Molar Refractivity 77.7184 cm3 Polarizability 29.142225 Å3
Polar Surface Area 62.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
144 - 146 °C expand Show data source
144-146°C 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