2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione

C22H23Cl2N3O2 — CID 11812065

IUPAC2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2
InChIKeySGVBRIHFEULKBC-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione

2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 11812065) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
PubChem CID11812065
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2
InChIKeySGVBRIHFEULKBC-UHFFFAOYSA-N
XLogP4.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
N-(3-Chlorophenyl)-phthalimide
CID 504333
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
2-[4-(4-phenylpiperazin-1-yl)butyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 600461
2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-isoindole-1,3-dione
CID 6424809
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
2-[2-(4-Phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione
CID 8597984
2-[3-[4-(2,3-Dichlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinolin-1-one
CID 44582490
1-(3-Chlorophenyl)-4-(3,4-dichlorobenzoyl)piperazine
CID 1070143
N-{(Z)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 9887463
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 10001256
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzotellurophene-2-carboxamide
CID 10053476

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione (CID 11812065) is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione?
The InChIKey is SGVBRIHFEULKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2.
What are the key properties of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione?
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 432.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 11812065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).