6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

C25H32ClFN2O2 — CID 69459311

IUPAC6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCCCNC[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2ccc(F)cc21.Cl
InChIInChI=1S/C25H31FN2O2.ClH/c1-2-15-27-17-22(29)23(18-9-5-3-6-10-18)28-21-16-19(26)11-12-20(21)25(24(28)30)13-7-4-8-14-25;/h3,5-6,9-12,16,22-23,27,29H,2,4,7-8,13-15,17H2,1H3;1H/t22-,23+;/m1./s1
InChIKeyVIDWZFCPGRHIIO-RFPXDPOKSA-N
MW446.99 g/mol
LogP4.90
Rot. Bonds7

About 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (PubChem CID 69459311) has the molecular formula C25H32ClFN2O2 and a molecular weight of 446.99 g/mol. Its IUPAC name is 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.

Molecular Properties

Compound Name6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
PubChem CID69459311
Molecular FormulaC25H32ClFN2O2
Molecular Weight446.99 g/mol
Exact Mass446.21
IUPAC Name6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCCCNC[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2ccc(F)cc21.Cl
InChIInChI=1S/C25H31FN2O2.ClH/c1-2-15-27-17-22(29)23(18-9-5-3-6-10-18)28-21-16-19(26)11-12-20(21)25(24(28)30)13-7-4-8-14-25;/h3,5-6,9-12,16,22-23,27,29H,2,4,7-8,13-15,17H2,1H3;1H/t22-,23+;/m1./s1
InChIKeyVIDWZFCPGRHIIO-RFPXDPOKSA-N
XLogP4.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
CID 69456271
1'-[2-hydroxy-3-(methylamino)-1-phenylpropyl]-6'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one
CID 69459286
1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one
CID 58837418
1'-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-6'-isocyanospiro[cyclohexane-1,3'-indole]-2'-one
CID 58837389
1'-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2'-oxospiro[cyclohexane-1,3'-indole]-5'-carbonitrile;hydrochloride
CID 69457716
1'-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-5'-phenylmethoxyspiro[cyclohexane-1,3'-indole]-2'-one
CID 58837470
[(2S,3S)-3-(6-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate
CID 87630251
4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
CID 141172305
5-bromo-1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3,3-dimethylindol-2-one;hydrochloride
CID 68903999
7-fluoro-1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3,3-dimethylindol-2-one
CID 68904155
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3,3-dimethyl-5-phenylmethoxyindol-2-one;hydrochloride
CID 69456962
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999

Frequently Asked Questions

What is the IUPAC name of 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The IUPAC name of 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (CID 69459311) is 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.
What is the SMILES notation for 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The canonical SMILES for 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is CCCNC[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2ccc(F)cc21.Cl.
What is the InChIKey of 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The InChIKey is VIDWZFCPGRHIIO-RFPXDPOKSA-N. The full InChI is InChI=1S/C25H31FN2O2.ClH/c1-2-15-27-17-22(29)23(18-9-5-3-6-10-18)28-21-16-19(26)11-12-20(21)25(24(28)30)13-7-4-8-14-25;/h3,5-6,9-12,16,22-23,27,29H,2,4,7-8,13-15,17H2,1H3;1H/t22-,23+;/m1./s1.
What are the key properties of 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride has a molecular weight of 446.99 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-fluoro-1'-[(1S,2R)-2-hydroxy-1-phenyl-3-(propylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is sourced from PubChem (CID 69459311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).