(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H19F3N2O2 — CID 52663130

IUPAC(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C16H19F3N2O2/c1-11(2)21(13-6-4-3-5-7-13)15(23)12-8-14(22)20(9-12)10-16(17,18)19/h3-7,11-12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyYNIMZCVVAFTRHA-LBPRGKRZSA-N
MW328.33 g/mol
LogP2.84
Rot. Bonds4

About (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 52663130) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID52663130
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C16H19F3N2O2/c1-11(2)21(13-6-4-3-5-7-13)15(23)12-8-14(22)20(9-12)10-16(17,18)19/h3-7,11-12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyYNIMZCVVAFTRHA-LBPRGKRZSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 52663130) is (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1.
What is the InChIKey of (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YNIMZCVVAFTRHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-11(2)21(13-6-4-3-5-7-13)15(23)12-8-14(22)20(9-12)10-16(17,18)19/h3-7,11-12H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 52663130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).