Home > Compound List > Compound details
2620-05-5 molecular structure
click picture or here to close

2-chloro-N-methyl-N-phenylacetamide

ChemBase ID: 16554
Molecular Formular: C9H10ClNO
Molecular Mass: 183.6348
Monoisotopic Mass: 183.04509163
SMILES and InChIs

SMILES:
N(C(=O)CCl)(c1ccccc1)C
Canonical SMILES:
ClCC(=O)N(c1ccccc1)C
InChI:
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey:
VUOFGWLJEBESHL-UHFFFAOYSA-N

Cite this record

CBID:16554 http://www.chembase.cn/molecule-16554.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-methyl-N-phenylacetamide
IUPAC Traditional name
2-chloro-N-methyl-N-phenylacetamide
Synonyms
2-Chloro-N-methyl-N-phenylacetamide
CAS Number
2620-05-5
MDL Number
MFCD00028184
PubChem SID
160979861
PubChem CID
75797

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.813631  H Acceptors
H Donor LogD (pH = 5.5) 1.6123661 
LogD (pH = 7.4) 1.6123661  Log P 1.6123661 
Molar Refractivity 48.7901 cm3 Polarizability 18.875555 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74 - 77 °C expand Show data source
Partition Coefficient
1.822 expand Show data source
Hydrophobicity(logP)
1.72 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
95% expand Show data source
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