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938515-68-5 molecular structure
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3-amino-N-(2-fluorophenyl)propanamide

ChemBase ID: 308308
Molecular Formular: C9H11FN2O
Molecular Mass: 182.1948432
Monoisotopic Mass: 182.0855412
SMILES and InChIs

SMILES:
N(C(=O)CCN)c1c(F)cccc1
Canonical SMILES:
NCCC(=O)Nc1ccccc1F
InChI:
InChI=1S/C9H11FN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey:
NDWYXCLVLZKALJ-UHFFFAOYSA-N

Cite this record

CBID:308308 http://www.chembase.cn/molecule-308308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-(2-fluorophenyl)propanamide
IUPAC Traditional name
3-amino-N-(2-fluorophenyl)propanamide
Synonyms
N~1~-(2-fluorophenyl)-beta-alaninamide
CAS Number
938515-68-5
MDL Number
MFCD09726184

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2674735  LogD (pH = 7.4) -1.0446177 
Log P 0.66654104  Molar Refractivity 49.1965 cm3
Polarizability 18.2564 Å3 Polar Surface Area 55.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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