6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride

C22H26ClF2N3O — CID 69114845

IUPAC6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25F2N3O.ClH/c23-16-4-7-18(8-5-16)27-13-11-26(12-14-27)10-2-1-3-20-19-9-6-17(24)15-21(19)25-22(20)28;/h4-9,15,20H,1-3,10-14H2,(H,25,28);1H
InChIKeyARUMUDXIFBNDRI-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.41
Rot. Bonds6

About 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride

6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 69114845) has the molecular formula C22H26ClF2N3O and a molecular weight of 421.92 g/mol. Its IUPAC name is 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
PubChem CID69114845
Molecular FormulaC22H26ClF2N3O
Molecular Weight421.92 g/mol
Exact Mass421.17
IUPAC Name6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25F2N3O.ClH/c23-16-4-7-18(8-5-16)27-13-11-26(12-14-27)10-2-1-3-20-19-9-6-17(24)15-21(19)25-22(20)28;/h4-9,15,20H,1-3,10-14H2,(H,25,28);1H
InChIKeyARUMUDXIFBNDRI-UHFFFAOYSA-N
XLogP4.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]butyl]-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 69114627
6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
CID 69093201
3-[4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 139811513
3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;oxalic acid
CID 67041259
3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 118162198
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
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
CID 14304624
(2R)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,7,8,9-tetrahydro-4H-benzo[g][1,4]benzoxazin-3-one
CID 14304653
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
ethyl 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 14304629

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride (CID 69114845) is 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride is Cl.O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is ARUMUDXIFBNDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O.ClH/c23-16-4-7-18(8-5-16)27-13-11-26(12-14-27)10-2-1-3-20-19-9-6-17(24)15-21(19)25-22(20)28;/h4-9,15,20H,1-3,10-14H2,(H,25,28);1H.
What are the key properties of 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 421.92 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 69114845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).