1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one

C24H29FN2O2 — CID 58837418

IUPAC1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one
SMILESCN(C)C[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C24H29FN2O2/c1-26(2)16-21(28)22(17-9-5-3-6-10-17)27-20-12-11-18(25)15-19(20)24(23(27)29)13-7-4-8-14-24/h3,5-6,9-12,15,21-22,28H,4,7-8,13-14,16H2,1-2H3/t21-,22+/m1/s1
InChIKeyRLFQJLSTSAPMCY-YADHBBJMSA-N
MW396.51 g/mol
LogP4.04
Rot. Bonds5

About 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one

1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 58837418) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one
PubChem CID58837418
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one
SMILESCN(C)C[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C24H29FN2O2/c1-26(2)16-21(28)22(17-9-5-3-6-10-17)27-20-12-11-18(25)15-19(20)24(23(27)29)13-7-4-8-14-24/h3,5-6,9-12,15,21-22,28H,4,7-8,13-14,16H2,1-2H3/t21-,22+/m1/s1
InChIKeyRLFQJLSTSAPMCY-YADHBBJMSA-N
XLogP4.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one with MolForge

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Related Compounds

1'-(Cyclooctylmethyl)-1-[3-[ethyl-[(4-methylphenyl)methyl]amino]-2-hydroxypropyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982791
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(1S,2R)-1-(3,3-dimethyl-2H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 45139969
(1S,2R)-1-(3,3-diethyl-2H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 45139971
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-spiro[2H-indole-3,1'-cyclohexane]-1-ylpropan-2-ol;hydrochloride
CID 45140169
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 3366856
1'-[(1S)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1.3'-indol]-2'(1'H)-one
CID 16067545
1-Benzyl-5-fluoro-3-hydroxy-3-prop-2-enylindol-2-one
CID 101547754
1-[(3aR,4R,9bS)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
CID 54665589
2-Indolinone, 3-allyl-3-(2-hydroxypropyl)-1-phenyl-
CID 30334
1-[2-Hydroxy-3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 44244569
1-[2-Hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 44244742

Frequently Asked Questions

What is the IUPAC name of 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one (CID 58837418) is 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one is CN(C)C[C@@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2cc(F)ccc21.
What is the InChIKey of 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one?
The InChIKey is RLFQJLSTSAPMCY-YADHBBJMSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-26(2)16-21(28)22(17-9-5-3-6-10-17)27-20-12-11-18(25)15-19(20)24(23(27)29)13-7-4-8-14-24/h3,5-6,9-12,15,21-22,28H,4,7-8,13-14,16H2,1-2H3/t21-,22+/m1/s1.
What are the key properties of 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one?
1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 396.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1S,2R)-3-(dimethylamino)-2-hydroxy-1-phenylpropyl]-5'-fluorospiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 58837418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).