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432509-06-3 molecular structure
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N-(3-iodophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide

ChemBase ID: 311774
Molecular Formular: C17H18INO2
Molecular Mass: 395.23479
Monoisotopic Mass: 395.03822682
SMILES and InChIs

SMILES:
C(=O)(Nc1cc(I)ccc1)COc1ccc(cc1)C(C)C
Canonical SMILES:
O=C(Nc1cccc(c1)I)COc1ccc(cc1)C(C)C
InChI:
InChI=1S/C17H18INO2/c1-12(2)13-6-8-16(9-7-13)21-11-17(20)19-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKey:
IGPXZKGUXUJAEL-UHFFFAOYSA-N

Cite this record

CBID:311774 http://www.chembase.cn/molecule-311774.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-iodophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide
IUPAC Traditional name
N-(3-iodophenyl)-2-(4-isopropylphenoxy)acetamide
Synonyms
N-(3-iodophenyl)-2-(4-isopropylphenoxy)acetamide
CAS Number
432509-06-3
MDL Number
MFCD03143793

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9018135  LogD (pH = 7.4) 4.90181 
Log P 4.9018135  Molar Refractivity 94.4364 cm3
Polarizability 35.949497 Å3 Polar Surface Area 38.33 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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