5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one

C22H24Cl3N3O — CID 54758201

IUPAC5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl3N3O/c23-15-4-6-17(7-5-15)28-11-9-27(10-12-28)8-2-1-3-18-19-13-16(24)14-20(25)21(19)26-22(18)29/h4-7,13-14,18H,1-3,8-12H2,(H,26,29)
InChIKeyBJHZLZCXLMKSGN-UHFFFAOYSA-N
MW452.81 g/mol
LogP5.68
Rot. Bonds6

About 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one

5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one (PubChem CID 54758201) has the molecular formula C22H24Cl3N3O and a molecular weight of 452.81 g/mol. Its IUPAC name is 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
PubChem CID54758201
Molecular FormulaC22H24Cl3N3O
Molecular Weight452.81 g/mol
Exact Mass451.10
IUPAC Name5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl3N3O/c23-15-4-6-17(7-5-15)28-11-9-27(10-12-28)8-2-1-3-18-19-13-16(24)14-20(25)21(19)26-22(18)29/h4-7,13-14,18H,1-3,8-12H2,(H,26,29)
InChIKeyBJHZLZCXLMKSGN-UHFFFAOYSA-N
XLogP5.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one (CID 54758201) is 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one is O=C1Nc2c(Cl)cc(Cl)cc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
The InChIKey is BJHZLZCXLMKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl3N3O/c23-15-4-6-17(7-5-15)28-11-9-27(10-12-28)8-2-1-3-18-19-13-16(24)14-20(25)21(19)26-22(18)29/h4-7,13-14,18H,1-3,8-12H2,(H,26,29).
What are the key properties of 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one?
5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one has a molecular weight of 452.81 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 54758201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).