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162104183 molecular structure
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2-chloro-N-(2-fluorophenyl)-2-phenylacetamide

ChemBase ID: 72419
Molecular Formular: C14H11ClFNO
Molecular Mass: 263.6946432
Monoisotopic Mass: 263.05131988
SMILES and InChIs

SMILES:
C(=O)(Nc1c(F)cccc1)C(c1ccccc1)Cl
Canonical SMILES:
O=C(C(c1ccccc1)Cl)Nc1ccccc1F
InChI:
InChI=1S/C14H11ClFNO/c15-13(10-6-2-1-3-7-10)14(18)17-12-9-5-4-8-11(12)16/h1-9,13H,(H,17,18)
InChIKey:
CBSQOJIMCDSNKK-UHFFFAOYSA-N

Cite this record

CBID:72419 http://www.chembase.cn/molecule-72419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2-fluorophenyl)-2-phenylacetamide
IUPAC Traditional name
2-chloro-N-(2-fluorophenyl)-2-phenylacetamide
Synonyms
2-Chloro-N-(2-fluorophenyl)-2-phenylacetamide
PubChem SID
162104183
PubChem CID
43082480

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
078043 external link Add to cart Please log in.
Data Source Data ID
PubChem 43082480 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.33607  H Acceptors
H Donor LogD (pH = 5.5) 3.8274307 
LogD (pH = 7.4) 3.8273835  Log P 3.8274314 
Molar Refractivity 70.2485 cm3 Polarizability 26.295946 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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