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432526-49-3 molecular structure
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N-(4-bromo-2-fluorophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide

ChemBase ID: 311781
Molecular Formular: C17H17BrFNO2
Molecular Mass: 366.2247832
Monoisotopic Mass: 365.04266901
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)Br)F)C(=O)COc1ccc(cc1)C(C)C
Canonical SMILES:
O=C(Nc1ccc(cc1F)Br)COc1ccc(cc1)C(C)C
InChI:
InChI=1S/C17H17BrFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKey:
SZRSJKXICOEKPG-UHFFFAOYSA-N

Cite this record

CBID:311781 http://www.chembase.cn/molecule-311781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromo-2-fluorophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide
IUPAC Traditional name
N-(4-bromo-2-fluorophenyl)-2-(4-isopropylphenoxy)acetamide
Synonyms
N-(4-bromo-2-fluorophenyl)-2-(4-isopropylphenoxy)acetamide
CAS Number
432526-49-3
MDL Number
MFCD03144277

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) 4.8843226  LogD (pH = 7.4) 4.884257 
Log P 4.8843236  Molar Refractivity 88.9131 cm3
Polarizability 33.394985 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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