N-[4-chloro-2-fluoro-5-(methylcarbonyloxymethyl)phenyl]-3,4,5,6-tetrahydrophthalimide

HCID 20032366
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Basic information

Standard SMILES
CC(=O)OCc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
InChIKey
OBCZVDFUDHDFDA-UHFFFAOYSA-N
Molecular formula
C17H15ClFNO4
Average molar mass
351.8 g/mol
Monoisotopic mass
351.0673638

Names & identifiers

Preferred name
N-[4-chloro-2-fluoro-5-(methylcarbonyloxymethyl)phenyl]-3,4,5,6-tetrahydrophthalimide
IUPAC
[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenyl]methyl acetate

Names & synonyms

SCHEMBL10573470OBCZVDFUDHDFDA-UHFFFAOYSA-NN-[4-chloro-2-fluoro- 5-(methylcarbonyloxymethyl)phenyl]-3,4,5,6-tetrahydrophthalimide

Database identifiers

PubChem CID
20032366

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
63.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

1 records
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Compound notes

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