1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone

C19H20FNO2 — CID 59164842

IUPAC1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C19H20FNO2/c1-13(22)18-10-11-19(21-18)14-6-8-16(9-7-14)23-12-15-4-2-3-5-17(15)20/h2-9,18-19,21H,10-12H2,1H3/t18-,19+/m0/s1
InChIKeyVJLVJPKTGFAFRH-RBUKOAKNSA-N
MW313.37 g/mol
LogP3.79
Rot. Bonds5

About 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone

1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone (PubChem CID 59164842) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone
PubChem CID59164842
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C19H20FNO2/c1-13(22)18-10-11-19(21-18)14-6-8-16(9-7-14)23-12-15-4-2-3-5-17(15)20/h2-9,18-19,21H,10-12H2,1H3/t18-,19+/m0/s1
InChIKeyVJLVJPKTGFAFRH-RBUKOAKNSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
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CID 16046068
Vixotrigine Hydrochloride
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2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
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N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
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(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
(S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorobenzyl)pyrrolidine-2-carboxamide
CID 46884102
N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide
CID 2919123
N-[1-(4-Methoxyphenyl)-3-methyl-3-buten-1-yl]-2-furanmethanamine
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Mao-B-IN-5
CID 11324918

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone (CID 59164842) is 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.
What is the InChIKey of 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone?
The InChIKey is VJLVJPKTGFAFRH-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(22)18-10-11-19(21-18)14-6-8-16(9-7-14)23-12-15-4-2-3-5-17(15)20/h2-9,18-19,21H,10-12H2,1H3/t18-,19+/m0/s1.
What are the key properties of 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone?
1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59164842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).