(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C15H17F3N2O2 — CID 67460166

IUPAC(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,12H,6-8H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyAIRKCBQCMKXTFG-LBPRGKRZSA-N
MW314.31 g/mol
LogP2.25
Rot. Bonds3

About (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67460166) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67460166
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,12H,6-8H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyAIRKCBQCMKXTFG-LBPRGKRZSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 67460166) is (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C)cccc1C(F)(F)F.
What is the InChIKey of (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AIRKCBQCMKXTFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-9-10(4-3-5-11(9)15(16,17)18)8-19-14(22)12-6-7-13(21)20(12)2/h3-5,12H,6-8H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67460166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).