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340703-52-8 molecular structure
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ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate

ChemBase ID: 310737
Molecular Formular: C14H15FN2O4
Molecular Mass: 294.2783032
Monoisotopic Mass: 294.10158519
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1=O)NCC(=O)OCC)c1ccc(cc1)F
Canonical SMILES:
CCOC(=O)CNC1CC(=O)N(C1=O)c1ccc(cc1)F
InChI:
InChI=1S/C14H15FN2O4/c1-2-21-13(19)8-16-11-7-12(18)17(14(11)20)10-5-3-9(15)4-6-10/h3-6,11,16H,2,7-8H2,1H3
InChIKey:
QACWMXBUFFUDHL-UHFFFAOYSA-N

Cite this record

CBID:310737 http://www.chembase.cn/molecule-310737.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate
IUPAC Traditional name
ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate
Synonyms
ethyl N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]glycinate
CAS Number
340703-52-8
MDL Number
MFCD00717098

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.58703476  LogD (pH = 7.4) 0.6216308 
Log P 0.62209034  Molar Refractivity 70.5447 cm3
Polarizability 27.678724 Å3 Polar Surface Area 75.71 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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