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7147-52-6 molecular structure
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N-(4-bromo-2-phenylphenyl)acetamide

ChemBase ID: 78034
Molecular Formular: C14H12BrNO
Molecular Mass: 290.15518
Monoisotopic Mass: 289.01022601
SMILES and InChIs

SMILES:
Brc1cc(c(cc1)NC(=O)C)c1ccccc1
Canonical SMILES:
CC(=O)Nc1ccc(cc1c1ccccc1)Br
InChI:
InChI=1S/C14H12BrNO/c1-10(17)16-14-8-7-12(15)9-13(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKey:
JUQGQHKZFREBLC-UHFFFAOYSA-N

Cite this record

CBID:78034 http://www.chembase.cn/molecule-78034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromo-2-phenylphenyl)acetamide
IUPAC Traditional name
N-(4-bromo-2-phenylphenyl)acetamide
Synonyms
N-(5-Bromobiphenyl-2-yl)acetamide
4'-Bromo-2'-phenylacetanilide
CAS Number
7147-52-6
PubChem SID
162042869
PubChem CID
242400

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR17005 external link Add to cart Please log in.
Data Source Data ID
PubChem 242400 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.62451  H Acceptors
H Donor LogD (pH = 5.5) 3.626934 
LogD (pH = 7.4) 3.6269338  Log P 3.626934 
Molar Refractivity 73.68 cm3 Polarizability 28.810379 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
129-130°C expand Show data source
Flash Point
>110°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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