5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride

C21H25Cl2F2N3O — CID 67837377

IUPAC5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
SMILESCl.Cl.O=C1Nc2ccc(F)cc2C1CCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O.2ClH/c22-16-3-1-15(2-4-16)14-26-11-9-25(10-12-26)8-7-18-19-13-17(23)5-6-20(19)24-21(18)27;;/h1-6,13,18H,7-12,14H2,(H,24,27);2*1H
InChIKeyRALGGBJSHWLKQD-UHFFFAOYSA-N
MW444.35 g/mol
LogP4.05
Rot. Bonds5

About 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride

5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride (PubChem CID 67837377) has the molecular formula C21H25Cl2F2N3O and a molecular weight of 444.35 g/mol. Its IUPAC name is 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
PubChem CID67837377
Molecular FormulaC21H25Cl2F2N3O
Molecular Weight444.35 g/mol
Exact Mass443.13
IUPAC Name5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
SMILESCl.Cl.O=C1Nc2ccc(F)cc2C1CCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O.2ClH/c22-16-3-1-15(2-4-16)14-26-11-9-25(10-12-26)8-7-18-19-13-17(23)5-6-20(19)24-21(18)27;;/h1-6,13,18H,7-12,14H2,(H,24,27);2*1H
InChIKeyRALGGBJSHWLKQD-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride with MolForge

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)ethyl]-5-cycloheptyl-1,3-dihydroindol-2-one
CID 67837489
3-[4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 139811513
6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
CID 69114845
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
3-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
CID 11518248
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
3-[4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]butyl]-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 69114627
1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]azepane
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride?
The IUPAC name of 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride (CID 67837377) is 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride.
What is the SMILES notation for 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride?
The canonical SMILES for 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride is Cl.Cl.O=C1Nc2ccc(F)cc2C1CCN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride?
The InChIKey is RALGGBJSHWLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O.2ClH/c22-16-3-1-15(2-4-16)14-26-11-9-25(10-12-26)8-7-18-19-13-17(23)5-6-20(19)24-21(18)27;;/h1-6,13,18H,7-12,14H2,(H,24,27);2*1H.
What are the key properties of 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride?
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride has a molecular weight of 444.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride is sourced from PubChem (CID 67837377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).