Home > Compound List > Compound details
40023-04-9 molecular structure
click picture or here to close

2-chloro-N-methyl-N-(1-phenylethyl)acetamide

ChemBase ID: 246694
Molecular Formular: C11H14ClNO
Molecular Mass: 211.68796
Monoisotopic Mass: 211.07639175
SMILES and InChIs

SMILES:
N(C(=O)CCl)(C(c1ccccc1)C)C
Canonical SMILES:
ClCC(=O)N(C(c1ccccc1)C)C
InChI:
InChI=1S/C11H14ClNO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey:
QBURJKXCINMVEV-UHFFFAOYSA-N

Cite this record

CBID:246694 http://www.chembase.cn/molecule-246694.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-methyl-N-(1-phenylethyl)acetamide
IUPAC Traditional name
2-chloro-N-methyl-N-(1-phenylethyl)acetamide
Synonyms
2-chloro-N-methyl-N-(1-phenylethyl)acetamide
CAS Number
40023-04-9
MDL Number
MFCD06655341
PubChem SID
164302604
PubChem CID
4961965

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-12552 external link Add to cart Please log in.
Data Source Data ID
PubChem 4961965 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0954556  LogD (pH = 7.4) 2.0954556 
Log P 2.0954556  Molar Refractivity 58.0439 cm3
Polarizability 22.559837 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.888 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