1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C18H25FN2O2 — CID 95337310

IUPAC1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c1-13(22)21-11-3-5-17(21)16-4-2-10-20(16)12-18(23)14-6-8-15(19)9-7-14/h6-9,16-18,23H,2-5,10-12H2,1H3/t16-,17+,18-/m0/s1
InChIKeyMCMFPPSTLUDIQF-KSZLIROESA-N
MW320.41 g/mol
LogP2.33
Rot. Bonds4

About 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95337310) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95337310
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c1-13(22)21-11-3-5-17(21)16-4-2-10-20(16)12-18(23)14-6-8-15(19)9-7-14/h6-9,16-18,23H,2-5,10-12H2,1H3/t16-,17+,18-/m0/s1
InChIKeyMCMFPPSTLUDIQF-KSZLIROESA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
CID 9942483
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1R,2S)-
CID 10856631
2-Fluoro-N-((1S,2S)-2-hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 11790868
N-Acetyl-(+)-Pseudoephedrine
CID 11344789
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, erythro-
CID 11830572
1-Phenyl-2-hexadecanoylamino-3-pyrrolidino-1-propanol
CID 9868804
2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24761775
(2R)-2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 394809
Decanamide, N-[(1R,2R)-2-hydroxy-2-phenyl-1-(1-pyrrolidinylmethyl)ethyl]-
CID 9929494
N-(1-Hydroxy-1-phenylpropan-2-yl)-N,2-dimethylprop-2-enamide
CID 38091

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95337310) is 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is MCMFPPSTLUDIQF-KSZLIROESA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(22)21-11-3-5-17(21)16-4-2-10-20(16)12-18(23)14-6-8-15(19)9-7-14/h6-9,16-18,23H,2-5,10-12H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95337310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).