Home > Compound List > Compound details
3318-15-8 molecular structure
click picture or here to close

N-benzyl-3-chloro-N-methylpropanamide

ChemBase ID: 60557
Molecular Formular: C11H14ClNO
Molecular Mass: 211.68796
Monoisotopic Mass: 211.07639175
SMILES and InChIs

SMILES:
C(=O)(N(Cc1ccccc1)C)CCCl
Canonical SMILES:
ClCCC(=O)N(Cc1ccccc1)C
InChI:
InChI=1S/C11H14ClNO/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey:
JAWIMEZRQVNCAC-UHFFFAOYSA-N

Cite this record

CBID:60557 http://www.chembase.cn/molecule-60557.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-3-chloro-N-methylpropanamide
IUPAC Traditional name
N-benzyl-3-chloro-N-methylpropanamide
Synonyms
N-Benzyl-3-chloro-N-methylpropanamide
CAS Number
3318-15-8
MDL Number
MFCD02286131
PubChem SID
162026298
PubChem CID
3333875

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3333875 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9158934  LogD (pH = 7.4) 1.9158934 
Log P 1.9158934  Molar Refractivity 58.3245 cm3
Polarizability 22.55762 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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