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398-90-3 molecular structure
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N-(2,5-difluorophenyl)acetamide

ChemBase ID: 100950
Molecular Formular: C8H7F2NO
Molecular Mass: 171.1440864
Monoisotopic Mass: 171.04957029
SMILES and InChIs

SMILES:
N(c1c(ccc(c1)F)F)C(=O)C
Canonical SMILES:
CC(=O)Nc1cc(F)ccc1F
InChI:
InChI=1S/C8H7F2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey:
XDZRBPCZRHRSAE-UHFFFAOYSA-N

Cite this record

CBID:100950 http://www.chembase.cn/molecule-100950.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,5-difluorophenyl)acetamide
IUPAC Traditional name
N-(2,5-difluorophenyl)acetamide
Synonyms
2',5'-Difluoroacetanilide
N-(2,5-Difluorophenyl)acetaMide
CAS Number
398-90-3
MDL Number
MFCD00032512
PubChem SID
162086693
PubChem CID
242830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 242830 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 1.4963598  LogD (pH = 7.4) 1.4963433 
Log P 1.4963601  Molar Refractivity 41.3538 cm3
Polarizability 14.690498 Å3 Polar Surface Area 29.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 11.789666  H Acceptors
H Donor

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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