[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone

C19H20FNO3 — CID 128988243

IUPAC[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C19H20FNO3/c20-16-10-17(12-22)21(11-16)19(23)15-7-4-8-18(9-15)24-13-14-5-2-1-3-6-14/h1-9,16-17,22H,10-13H2/t16-,17-/m0/s1
InChIKeyPSHWGEHZMUILHB-IRXDYDNUSA-N
MW329.37 g/mol
LogP2.81
Rot. Bonds5

About [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone

[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone (PubChem CID 128988243) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
PubChem CID128988243
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C19H20FNO3/c20-16-10-17(12-22)21(11-16)19(23)15-7-4-8-18(9-15)24-13-14-5-2-1-3-6-14/h1-9,16-17,22H,10-13H2/t16-,17-/m0/s1
InChIKeyPSHWGEHZMUILHB-IRXDYDNUSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128984749
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(3-phenylmethoxyphenyl)methanone
CID 171939107
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
CID 119597209
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 42993440

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone (CID 128988243) is [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The InChIKey is PSHWGEHZMUILHB-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-10-17(12-22)21(11-16)19(23)15-7-4-8-18(9-15)24-13-14-5-2-1-3-6-14/h1-9,16-17,22H,10-13H2/t16-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone has a molecular weight of 329.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 128988243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).