2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C15H14F3N3O3 — CID 96523980

IUPAC2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESN#Cc1ccccc1OCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)9-21-6-5-11(14(21)23)20-13(22)8-24-12-4-2-1-3-10(12)7-19/h1-4,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1
InChIKeyQXZUQMLWXCBXRB-LLVKDONJSA-N
MW341.29 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 96523980) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID96523980
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESN#Cc1ccccc1OCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)9-21-6-5-11(14(21)23)20-13(22)8-24-12-4-2-1-3-10(12)7-19/h1-4,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1
InChIKeyQXZUQMLWXCBXRB-LLVKDONJSA-N
XLogP1.22
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 96523980) is 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is N#Cc1ccccc1OCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QXZUQMLWXCBXRB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)9-21-6-5-11(14(21)23)20-13(22)8-24-12-4-2-1-3-10(12)7-19/h1-4,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 96523980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).