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303991-53-9 molecular structure
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2-bromo-N-(3,4-dimethylphenyl)benzamide

ChemBase ID: 75618
Molecular Formular: C15H14BrNO
Molecular Mass: 304.18176
Monoisotopic Mass: 303.02587607
SMILES and InChIs

SMILES:
N(c1cc(c(cc1)C)C)C(=O)c1c(cccc1)Br
Canonical SMILES:
O=C(c1ccccc1Br)Nc1ccc(c(c1)C)C
InChI:
InChI=1S/C15H14BrNO/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKey:
IDLSRDSIECGYON-UHFFFAOYSA-N

Cite this record

CBID:75618 http://www.chembase.cn/molecule-75618.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(3,4-dimethylphenyl)benzamide
IUPAC Traditional name
2-bromo-N-(3,4-dimethylphenyl)benzamide
Synonyms
2-Bromo-N-(3,4-dimethylphenyl)benzamide
CAS Number
303991-53-9
MDL Number
MFCD00783940
PubChem SID
162040536
PubChem CID
710589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 710589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 79.2967 cm3 Polarizability 29.168043 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 12.196156 
H Acceptors H Donor
LogD (pH = 5.5) 4.860726  LogD (pH = 7.4) 4.860719 
Log P 4.860726 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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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