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349439-57-2 molecular structure
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N-(2-bromophenyl)-3,3-diphenylpropanamide

ChemBase ID: 311448
Molecular Formular: C21H18BrNO
Molecular Mass: 380.27772
Monoisotopic Mass: 379.0571762
SMILES and InChIs

SMILES:
C(=O)(Nc1c(Br)cccc1)CC(c1ccccc1)c1ccccc1
Canonical SMILES:
O=C(Nc1ccccc1Br)CC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C21H18BrNO/c22-19-13-7-8-14-20(19)23-21(24)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24)
InChIKey:
ZGKPMMRKLGJYCL-UHFFFAOYSA-N

Cite this record

CBID:311448 http://www.chembase.cn/molecule-311448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-bromophenyl)-3,3-diphenylpropanamide
IUPAC Traditional name
N-(2-bromophenyl)-3,3-diphenylpropanamide
Synonyms
N-(2-bromophenyl)-3,3-diphenylpropanamide
CAS Number
349439-57-2
MDL Number
MFCD01358792

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) 5.6794405  LogD (pH = 7.4) 5.679439 
Log P 5.6794405  Molar Refractivity 102.5103 cm3
Polarizability 38.892944 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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