1-(3,4-dichloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-urea

HCID 44539422
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Basic information

Standard SMILES
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc(Cl)c(Cl)c4)ccc3C2=O)C(=O)N1
InChIKey
YXTVLLJONNNBNQ-UHFFFAOYSA-N
Molecular formula
C21H18Cl2N4O4
Average molar mass
461.3 g/mol

Names & identifiers

Preferred name
1-(3,4-dichloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-urea
IUPAC
1-(3,4-dichlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea

Names & synonyms

SCHEMBL1403564CHEMBL4228605YXTVLLJONNNBNQ-UHFFFAOYSA-N1-(3,4-dichloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-urea

Database identifiers

PubChem CID
44539422
ChEMBL
CHEMBL4228605

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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