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162104247 molecular structure
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N-(4-bromophenyl)-2-chloro-2-phenylacetamide

ChemBase ID: 72417
Molecular Formular: C14H11BrClNO
Molecular Mass: 324.60024
Monoisotopic Mass: 322.97125366
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(Br)cc1)C(c1ccccc1)Cl
Canonical SMILES:
O=C(C(c1ccccc1)Cl)Nc1ccc(cc1)Br
InChI:
InChI=1S/C14H11BrClNO/c15-11-6-8-12(9-7-11)17-14(18)13(16)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)
InChIKey:
ZQHXFFIGRPGHER-UHFFFAOYSA-N

Cite this record

CBID:72417 http://www.chembase.cn/molecule-72417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromophenyl)-2-chloro-2-phenylacetamide
IUPAC Traditional name
N-(4-bromophenyl)-2-chloro-2-phenylacetamide
Synonyms
N-(4-Bromophenyl)-2-chloro-2-phenylacetamide
PubChem SID
162104247
PubChem CID
5067326

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
078041 external link Add to cart Please log in.
Data Source Data ID
PubChem 5067326 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.106221  H Acceptors
H Donor LogD (pH = 5.5) 4.453482 
LogD (pH = 7.4) 4.453481  Log P 4.453482 
Molar Refractivity 77.6549 cm3 Polarizability 29.393873 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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