(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide

C16H19FN2O4 — CID 95300558

IUPAC(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(21)18-23-15-3-1-2-8-22-15/h4-7,11,15H,1-3,8-10H2,(H,18,21)/t11-,15+/m1/s1
InChIKeyRLEDWXKJKUQEOI-ABAIWWIYSA-N
MW322.34 g/mol
LogP1.75
Rot. Bonds4

About (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide (PubChem CID 95300558) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide
PubChem CID95300558
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(21)18-23-15-3-1-2-8-22-15/h4-7,11,15H,1-3,8-10H2,(H,18,21)/t11-,15+/m1/s1
InChIKeyRLEDWXKJKUQEOI-ABAIWWIYSA-N
XLogP1.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 129354485
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
1-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 102189276
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide (CID 95300558) is (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide is O=C(NO[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLEDWXKJKUQEOI-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)19-10-11(9-14(19)20)16(21)18-23-15-3-1-2-8-22-15/h4-7,11,15H,1-3,8-10H2,(H,18,21)/t11-,15+/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95300558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).