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66947-88-4 molecular structure
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2-chloro-N-(2-iodophenyl)acetamide

ChemBase ID: 234020
Molecular Formular: C8H7ClINO
Molecular Mass: 295.50475
Monoisotopic Mass: 294.92608953
SMILES and InChIs

SMILES:
N(c1c(I)cccc1)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccccc1I
InChI:
InChI=1S/C8H7ClINO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey:
RUANVLHAWBBUHD-UHFFFAOYSA-N

Cite this record

CBID:234020 http://www.chembase.cn/molecule-234020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2-iodophenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2-iodophenyl)acetamide
Synonyms
2-chloro-N-(2-iodophenyl)acetamide
CAS Number
66947-88-4
MDL Number
MFCD02580942
PubChem SID
164289930
PubChem CID
5175232

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08959 external link Add to cart Please log in.
Data Source Data ID
PubChem 5175232 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.456472  H Acceptors
H Donor LogD (pH = 5.5) 2.6772444 
LogD (pH = 7.4) 2.6772408  Log P 2.6772444 
Molar Refractivity 59.0367 cm3 Polarizability 22.345907 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
38 - 40°C expand Show data source
Hydrophobicity(logP)
2.095 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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