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349431-99-8 molecular structure
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N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide

ChemBase ID: 311456
Molecular Formular: C16H15BrFNO
Molecular Mass: 336.1988032
Monoisotopic Mass: 335.03210433
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)Br)F)C(c1ccccc1)CC
Canonical SMILES:
CCC(c1ccccc1)C(=O)Nc1ccc(cc1F)Br
InChI:
InChI=1S/C16H15BrFNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(17)10-14(15)18/h3-10,13H,2H2,1H3,(H,19,20)
InChIKey:
MGKWGLBGFIJQPB-UHFFFAOYSA-N

Cite this record

CBID:311456 http://www.chembase.cn/molecule-311456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide
IUPAC Traditional name
N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide
Synonyms
N-(4-bromo-2-fluorophenyl)-2-phenylbutanamide
CAS Number
349431-99-8
MDL Number
MFCD01359462

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) 4.9443054  LogD (pH = 7.4) 4.944286 
Log P 4.9443054  Molar Refractivity 82.6576 cm3
Polarizability 30.911377 Å3 Polar Surface Area 29.1 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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