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1330750-29-2 molecular structure
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N-[1-(4-bromophenyl)cyclopropyl]acetamide

ChemBase ID: 290447
Molecular Formular: C11H12BrNO
Molecular Mass: 254.12308
Monoisotopic Mass: 253.01022601
SMILES and InChIs

SMILES:
CC(=O)NC1(c2ccc(Br)cc2)CC1
Canonical SMILES:
CC(=O)NC1(CC1)c1ccc(cc1)Br
InChI:
InChI=1S/C11H12BrNO/c1-8(14)13-11(6-7-11)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey:
UIDHJWBXLYVJEU-UHFFFAOYSA-N

Cite this record

CBID:290447 http://www.chembase.cn/molecule-290447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(4-bromophenyl)cyclopropyl]acetamide
IUPAC Traditional name
N-[1-(4-bromophenyl)cyclopropyl]acetamide
Synonyms
N-(1-(4-Bromophenyl)cyclopropyl)acetamide
CAS Number
1330750-29-2
PubChem SID
180675978
PubChem CID
47265694

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229490 Please log in.
Data Source Data ID
PubChem 47265694 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.153569  H Acceptors
H Donor LogD (pH = 5.5) 2.0759466 
LogD (pH = 7.4) 2.075946  Log P 2.0759468 
Molar Refractivity 58.6988 cm3 Polarizability 22.790462 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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