2-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)isoindoline-1,3-dione

HCID 54579446
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Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIKey
IVNUWJBUYONQPD-UHFFFAOYSA-N
Molecular formula
C21H21Cl2N3O2
Average molar mass
418.3 g/mol
Monoisotopic mass
417.1010823

Names & identifiers

Preferred name
2-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)isoindoline-1,3-dione
IUPAC
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Names & synonyms

2-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)isoindoline-1,3-dione2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]isoindoline-1,3-dioneSCHEMBL1080392IVNUWJBUYONQPD-UHFFFAOYSA-N

Database identifiers

PubChem CID
54579446

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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