N-(4-chloro-2-fluoro-5-isopropoxyphenyl)-3-methyl-3,4,5,6-tetrahydrophthalic acid imide

HCID 17801969
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Basic information

Standard SMILES
CC(C)Oc1cc(N2C(=O)C3=C(C2=O)C(C)CCC3)c(F)cc1Cl
InChIKey
QYVGPXOBSJXRHL-UHFFFAOYSA-N
Molecular formula
C18H19ClFNO3
Average molar mass
351.8 g/mol

Names & identifiers

Preferred name
N-(4-chloro-2-fluoro-5-isopropoxyphenyl)-3-methyl-3,4,5,6-tetrahydrophthalic acid imide
IUPAC
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-methyl-4,5,6,7-tetrahydroisoindole-1,3-dione

Names & synonyms

SCHEMBL9814982QYVGPXOBSJXRHL-UHFFFAOYSA-NN-(4-chloro-2-fluoro-5-isopropoxyphenyl)-3-methyl-3,4,5,6-tetrahydrophthalic acid imide

Database identifiers

PubChem CID
17801969

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
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Compound notes

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