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

HCID 20032355
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Basic information

Standard SMILES
CC(C)N(Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl)C(C)C
InChIKey
FLKADWQZLJKIJQ-UHFFFAOYSA-N
Molecular formula
C21H26ClFN2O2
Average molar mass
392.9 g/mol
Monoisotopic mass
392.1666839

Names & identifiers

Preferred name
N-[4-chloro-2-fluoro-5-(diisopropylaminomethyl)phenyl]-3,4,5,6-tetrahydrophthalimide
IUPAC
2-[4-chloro-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Names & synonyms

SCHEMBL10571182FLKADWQZLJKIJQ-UHFFFAOYSA-NN-[4-chloro-2-fluoro-5-(diisopropylaminomethyl)phenyl]-3,4,5,6-tetrahydrophthalimide

Database identifiers

PubChem CID
20032355

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

1 records
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Compound notes

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