3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one

C19H20FNO3 — CID 110158923

IUPAC3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c20-15-9-6-14(7-10-15)8-11-19(23)21-12-17(22)18(13-21)24-16-4-2-1-3-5-16/h1-7,9-10,17-18,22H,8,11-13H2/t17-,18-/m1/s1
InChIKeyPRNIPOSLRMYSIX-QZTJIDSGSA-N
MW329.37 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one (PubChem CID 110158923) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
PubChem CID110158923
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C19H20FNO3/c20-15-9-6-14(7-10-15)8-11-19(23)21-12-17(22)18(13-21)24-16-4-2-1-3-5-16/h1-7,9-10,17-18,22H,8,11-13H2/t17-,18-/m1/s1
InChIKeyPRNIPOSLRMYSIX-QZTJIDSGSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110158922
1-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 56863969
2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
CID 64604563
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 124589038
3-(4-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629087
2-(4-ethylpiperazin-1-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110159734
N-benzyl-2-[(3S,4S)-4-(4-chlorophenoxy)-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-N-methylacetamide
CID 110078486
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
3-(4-fluorophenyl)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 110081767

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one (CID 110158923) is 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one is O=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one?
The InChIKey is PRNIPOSLRMYSIX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-15-9-6-14(7-10-15)8-11-19(23)21-12-17(22)18(13-21)24-16-4-2-1-3-5-16/h1-7,9-10,17-18,22H,8,11-13H2/t17-,18-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one has a molecular weight of 329.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110158923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).