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

C22H25ClFN3O — CID 24854105

IUPAC3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClFN3O/c23-16-4-3-5-18(14-16)27-12-10-26(11-13-27)9-2-1-6-19-20-15-17(24)7-8-21(20)25-22(19)28/h3-5,7-8,14-15,19H,1-2,6,9-13H2,(H,25,28)
InChIKeyLLPNZLTYMKXSLG-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.51
Rot. Bonds6

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

3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 24854105) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
PubChem CID24854105
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClFN3O/c23-16-4-3-5-18(14-16)27-12-10-26(11-13-27)9-2-1-6-19-20-15-17(24)7-8-21(20)25-22(19)28/h3-5,7-8,14-15,19H,1-2,6,9-13H2,(H,25,28)
InChIKeyLLPNZLTYMKXSLG-UHFFFAOYSA-N
XLogP4.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-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 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one (CID 24854105) is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is LLPNZLTYMKXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c23-16-4-3-5-18(14-16)27-12-10-26(11-13-27)9-2-1-6-19-20-15-17(24)7-8-21(20)25-22(19)28/h3-5,7-8,14-15,19H,1-2,6,9-13H2,(H,25,28).
What are the key properties of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one?
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 401.91 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 24854105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).