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22303-36-2 molecular structure
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2-chloro-N-(4-methoxyphenyl)acetamide

ChemBase ID: 26923
Molecular Formular: C9H10ClNO2
Molecular Mass: 199.6342
Monoisotopic Mass: 199.04000625
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)OC)CCl
Canonical SMILES:
ClCC(=O)Nc1ccc(cc1)OC
InChI:
InChI=1S/C9H10ClNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey:
RLUUKMWWYRMCPY-UHFFFAOYSA-N

Cite this record

CBID:26923 http://www.chembase.cn/molecule-26923.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(4-methoxyphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(4-methoxyphenyl)acetamide
Synonyms
2-Chloro-N-(4-methoxyphenyl)acetamide
2-Chloro-N-(4-methoxyphenyl)acetamide
4-[(Chloroacetyl)amino]anisole
N-(Chloroacetyl)-4-methoxyaniline
CAS Number
22303-36-2
MDL Number
MFCD00018907
PubChem SID
160990230
PubChem CID
31123

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.967534  H Acceptors
H Donor LogD (pH = 5.5) 1.5906287 
LogD (pH = 7.4) 1.5906286  Log P 1.5906287 
Molar Refractivity 52.1374 cm3 Polarizability 19.58373 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
121 - 122 °C expand Show data source
121-122°C expand Show data source
Hydrophobicity(logP)
1.849 expand Show data source
Storage Warning
IRRITANT expand Show data source
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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