Basic information
- Standard SMILES
O=C(CCl)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
XRAYWKDMFVKUTJ-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O5
- Average molar mass
- 363.75 g/mol
Names & identifiers
- Preferred name
- TNF-alpha-IN-1
- IUPAC
- 2-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
Names & synonyms
TNF-alpha-IN-1444287-49-4TNF-|A-IN-1TNF-?-IN-12-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide2-chloro-N-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)methyl)acetamideTNF-a-IN-1C16H14ClN3O5SCHEMBL476904orb1708346SCHEMBL30009748TNF-??-IN-1
Show more names
TQP0429XRAYWKDMFVKUTJ-UHFFFAOYSA-NUSA28749AKOS0407404332-chloro-N-{[2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl]methyl}acetamideBP-40511DA-42432MS-25791
Database identifiers
- PubChem CID
- 10270102
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Related reactions
7 records
Compound notes
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