TNF-alpha-IN-1

HCID 10270102

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

Related reactions

7 records

Compound notes

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