(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide

C15H17F3N2O3 — CID 75372390

IUPAC(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCC(O)(c2ccccc2)C(F)(F)F)N1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)14(23,10-4-2-1-3-5-10)8-9-19-13(22)11-6-7-12(21)20-11/h1-5,11,23H,6-9H2,(H,19,22)(H,20,21)/t11-,14?/m1/s1
InChIKeyWBYGNFMMWMVLCL-YNODCEANSA-N
MW330.31 g/mol
LogP1.22
Rot. Bonds5

About (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide

(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide (PubChem CID 75372390) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide
PubChem CID75372390
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCC(O)(c2ccccc2)C(F)(F)F)N1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)14(23,10-4-2-1-3-5-10)8-9-19-13(22)11-6-7-12(21)20-11/h1-5,11,23H,6-9H2,(H,19,22)(H,20,21)/t11-,14?/m1/s1
InChIKeyWBYGNFMMWMVLCL-YNODCEANSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide (CID 75372390) is (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCCC(O)(c2ccccc2)C(F)(F)F)N1.
What is the InChIKey of (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is WBYGNFMMWMVLCL-YNODCEANSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)14(23,10-4-2-1-3-5-10)8-9-19-13(22)11-6-7-12(21)20-11/h1-5,11,23H,6-9H2,(H,19,22)(H,20,21)/t11-,14?/m1/s1.
What are the key properties of (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75372390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).