(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C15H16ClF3N2O2 — CID 67461764

IUPAC(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H16ClF3N2O2/c1-2-21-11(6-7-12(21)22)14(23)20-8-9-4-3-5-10(13(9)16)15(17,18)19/h3-5,11H,2,6-8H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeySPCMXXKHIAIYGH-LLVKDONJSA-N
MW348.75 g/mol
LogP2.99
Rot. Bonds4

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

(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67461764) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67461764
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H16ClF3N2O2/c1-2-21-11(6-7-12(21)22)14(23)20-8-9-4-3-5-10(13(9)16)15(17,18)19/h3-5,11H,2,6-8H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeySPCMXXKHIAIYGH-LLVKDONJSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67461764) is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SPCMXXKHIAIYGH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-2-21-11(6-7-12(21)22)14(23)20-8-9-4-3-5-10(13(9)16)15(17,18)19/h3-5,11H,2,6-8H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 348.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67461764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).