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1016507-22-4 molecular structure
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2-amino-N-(4-fluoro-2-methylphenyl)acetamide

ChemBase ID: 308521
Molecular Formular: C9H11FN2O
Molecular Mass: 182.1948432
Monoisotopic Mass: 182.0855412
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)F)C)C(=O)CN
Canonical SMILES:
NCC(=O)Nc1ccc(cc1C)F
InChI:
InChI=1S/C9H11FN2O/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey:
UDPZJCBLPCNAGG-UHFFFAOYSA-N

Cite this record

CBID:308521 http://www.chembase.cn/molecule-308521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(4-fluoro-2-methylphenyl)acetamide
IUPAC Traditional name
2-amino-N-(4-fluoro-2-methylphenyl)acetamide
Synonyms
N~1~-(4-fluoro-2-methylphenyl)glycinamide
CAS Number
1016507-22-4
MDL Number
MFCD09930726

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4301063  LogD (pH = 7.4) 0.26430455 
Log P 0.94294965  Molar Refractivity 49.5383 cm3
Polarizability 18.182133 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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