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65117-31-9 molecular structure
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2-chloro-N,N-diethyl-2-phenylacetamide

ChemBase ID: 249578
Molecular Formular: C12H16ClNO
Molecular Mass: 225.71454
Monoisotopic Mass: 225.09204182
SMILES and InChIs

SMILES:
C(=O)(C(c1ccccc1)Cl)N(CC)CC
Canonical SMILES:
CCN(C(=O)C(c1ccccc1)Cl)CC
InChI:
InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey:
XGCSCGPEXJYFRH-UHFFFAOYSA-N

Cite this record

CBID:249578 http://www.chembase.cn/molecule-249578.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N,N-diethyl-2-phenylacetamide
IUPAC Traditional name
2-chloro-N,N-diethyl-2-phenylacetamide
Synonyms
2-chloro-N,N-diethyl-2-phenylacetamide
CAS Number
65117-31-9
MDL Number
MFCD00544109
PubChem SID
164305488
PubChem CID
4962500

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-13545 external link Add to cart Please log in.
Data Source Data ID
PubChem 4962500 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6044528  LogD (pH = 7.4) 2.6044528 
Log P 2.6044528  Molar Refractivity 62.8676 cm3
Polarizability 24.40061 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
57 - 58°C expand Show data source
Hydrophobicity(logP)
2.837 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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