Basic information
- Standard SMILES
CC=C(Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl)C(=O)OCC- InChIKey
LPHXUEASEADZEJ-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO5
- Average molar mass
- 389.8 g/mol
- Monoisotopic mass
- 389.1030004
Names & identifiers
- Preferred name
- N-[4-chloro-3-(1-ethoxycarbonylpropen-1-yloxy)phenyl]-3,4,5,6-tetrahydrophthalimide
- IUPAC
- ethyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenoxy]but-2-enoate
Names & synonyms
SCHEMBL11016967LPHXUEASEADZEJ-UHFFFAOYSA-NN-[4-chloro-3-(1-ethoxycarbonylpropen-1-yloxy)phenyl]-3,4,5,6-tetrahydrophthalimide
Database identifiers
- PubChem CID
- 56629888
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 670
Related reactions
2 records
Compound notes
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