(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C17H21FN2O3 — CID 100856248

IUPAC(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-20-15(21)9-14(16(20)11-4-6-12(18)7-5-11)17(22)19-10-13-3-2-8-23-13/h4-7,13-14,16H,2-3,8-10H2,1H3,(H,19,22)/t13-,14+,16+/m1/s1
InChIKeyWMRQLTIYCAZHJH-YCPHGPKFSA-N
MW320.36 g/mol
LogP1.64
Rot. Bonds4

About (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 100856248) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID100856248
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c1-20-15(21)9-14(16(20)11-4-6-12(18)7-5-11)17(22)19-10-13-3-2-8-23-13/h4-7,13-14,16H,2-3,8-10H2,1H3,(H,19,22)/t13-,14+,16+/m1/s1
InChIKeyWMRQLTIYCAZHJH-YCPHGPKFSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 97457751
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CID 71689623
(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
CID 97457385
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 125135854
(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 138055780
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide
CID 124572424
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[(3R)-thian-3-yl]pyrrolidine-3-carboxamide
CID 97246151
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 100856248) is (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WMRQLTIYCAZHJH-YCPHGPKFSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-20-15(21)9-14(16(20)11-4-6-12(18)7-5-11)17(22)19-10-13-3-2-8-23-13/h4-7,13-14,16H,2-3,8-10H2,1H3,(H,19,22)/t13-,14+,16+/m1/s1.
What are the key properties of (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 100856248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).