(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C15H17F3N2O2 — CID 67464114

IUPAC(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-2-20-12(7-8-13(20)21)14(22)19-9-10-3-5-11(6-4-10)15(16,17)18/h3-6,12H,2,7-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyCMVNSKTYEHDHOI-LBPRGKRZSA-N
MW314.31 g/mol
LogP2.33
Rot. Bonds4

About (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 67464114) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID67464114
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-2-20-12(7-8-13(20)21)14(22)19-9-10-3-5-11(6-4-10)15(16,17)18/h3-6,12H,2,7-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyCMVNSKTYEHDHOI-LBPRGKRZSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 67464114) is (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CMVNSKTYEHDHOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-2-20-12(7-8-13(20)21)14(22)19-9-10-3-5-11(6-4-10)15(16,17)18/h3-6,12H,2,7-9H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67464114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).