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66932-96-5 molecular structure
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2-chloro-N-(3,5-dimethoxyphenyl)acetamide

ChemBase ID: 30389
Molecular Formular: C10H12ClNO3
Molecular Mass: 229.66018
Monoisotopic Mass: 229.05057093
SMILES and InChIs

SMILES:
c1(NC(=O)CCl)cc(cc(c1)OC)OC
Canonical SMILES:
ClCC(=O)Nc1cc(OC)cc(c1)OC
InChI:
InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey:
OAFXUKHPQCSRPT-UHFFFAOYSA-N

Cite this record

CBID:30389 http://www.chembase.cn/molecule-30389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(3,5-dimethoxyphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(3,5-dimethoxyphenyl)acetamide
Synonyms
2-chloro-N-(3,5-dimethoxyphenyl)acetamide
2-Chloro-N-(3,5-dimethoxy-phenyl)-acetamide
CAS Number
66932-96-5
MDL Number
MFCD00751234
PubChem SID
160993696
PubChem CID
2303719

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2303719 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.815753  H Acceptors
H Donor LogD (pH = 5.5) 1.4329574 
LogD (pH = 7.4) 1.4329559  Log P 1.4329574 
Molar Refractivity 58.6006 cm3 Polarizability 22.133743 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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