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MFCD00437789 molecular structure
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2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide

ChemBase ID: 84415
Molecular Formular: C14H11Cl2NO2
Molecular Mass: 296.14864
Monoisotopic Mass: 295.01668396
SMILES and InChIs

SMILES:
N(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccc(cc1)Oc1ccc(cc1)Cl
InChI:
InChI=1S/C14H11Cl2NO2/c15-9-14(18)17-11-3-7-13(8-4-11)19-12-5-1-10(16)2-6-12/h1-8H,9H2,(H,17,18)
InChIKey:
LQBGPTCOVFQOIC-UHFFFAOYSA-N

Cite this record

CBID:84415 http://www.chembase.cn/molecule-84415.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
IUPAC Traditional name
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
Synonyms
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
MDL Number
MFCD00437789
PubChem SID
162071531
PubChem CID
2782070

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR27289 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782070 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.833509  H Acceptors
H Donor LogD (pH = 5.5) 3.8526318 
LogD (pH = 7.4) 3.8526318  Log P 3.8526318 
Molar Refractivity 76.7198 cm3 Polarizability 29.244522 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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