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60901-60-2 molecular structure
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2-chloro-N-phenyl-N-(prop-2-en-1-yl)acetamide

ChemBase ID: 251504
Molecular Formular: C11H12ClNO
Molecular Mass: 209.67208
Monoisotopic Mass: 209.06074169
SMILES and InChIs

SMILES:
N(C(=O)CCl)(c1ccccc1)CC=C
Canonical SMILES:
ClCC(=O)N(c1ccccc1)CC=C
InChI:
InChI=1S/C11H12ClNO/c1-2-8-13(11(14)9-12)10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey:
QSAYWAKBIPTVNP-UHFFFAOYSA-N

Cite this record

CBID:251504 http://www.chembase.cn/molecule-251504.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-phenyl-N-(prop-2-en-1-yl)acetamide
IUPAC Traditional name
2-chloro-N-phenyl-N-(prop-2-en-1-yl)acetamide
Synonyms
N-allyl-2-chloro-N-phenylacetamide
CAS Number
60901-60-2
MDL Number
MFCD03030400
PubChem SID
164307414
PubChem CID
14417037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-22845 external link Add to cart Please log in.
Data Source Data ID
PubChem 14417037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.761896  H Acceptors
H Donor LogD (pH = 5.5) 2.3436158 
LogD (pH = 7.4) 2.3436158  Log P 2.3436158 
Molar Refractivity 57.9528 cm3 Polarizability 22.307264 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
228 - 231°C expand Show data source
Hydrophobicity(logP)
2.494 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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