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

C18H21F3N2O2 — CID 67462045

IUPAC(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)cccc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O2/c1-11-12(4-2-7-14(11)18(19,20)21)10-22-17(25)15-8-9-16(24)23(15)13-5-3-6-13/h2,4,7,13,15H,3,5-6,8-10H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyWBVRIDGDBSZIBV-HNNXBMFYSA-N
MW354.37 g/mol
LogP3.17
Rot. Bonds4

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

(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67462045) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67462045
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)cccc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O2/c1-11-12(4-2-7-14(11)18(19,20)21)10-22-17(25)15-8-9-16(24)23(15)13-5-3-6-13/h2,4,7,13,15H,3,5-6,8-10H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyWBVRIDGDBSZIBV-HNNXBMFYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 67462045) is (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)cccc1C(F)(F)F.
What is the InChIKey of (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WBVRIDGDBSZIBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-11-12(4-2-7-14(11)18(19,20)21)10-22-17(25)15-8-9-16(24)23(15)13-5-3-6-13/h2,4,7,13,15H,3,5-6,8-10H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67462045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).