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141463-66-3 molecular structure
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2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide

ChemBase ID: 251629
Molecular Formular: C11H14ClNO
Molecular Mass: 211.68796
Monoisotopic Mass: 211.07639175
SMILES and InChIs

SMILES:
C(=O)(NCCc1c(C)cccc1)CCl
Canonical SMILES:
ClCC(=O)NCCc1ccccc1C
InChI:
InChI=1S/C11H14ClNO/c1-9-4-2-3-5-10(9)6-7-13-11(14)8-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey:
CKOKKRODDYODDG-UHFFFAOYSA-N

Cite this record

CBID:251629 http://www.chembase.cn/molecule-251629.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide
IUPAC Traditional name
2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide
Synonyms
2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide
CAS Number
141463-66-3
MDL Number
MFCD08444137
PubChem SID
164307539
PubChem CID
9291155

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-23170 external link Add to cart Please log in.
Data Source Data ID
PubChem 9291155 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.49207  H Acceptors
H Donor LogD (pH = 5.5) 2.2572873 
LogD (pH = 7.4) 2.257287  Log P 2.2572873 
Molar Refractivity 58.5246 cm3 Polarizability 22.486074 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
68 - 70°C expand Show data source
Hydrophobicity(logP)
2.081 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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