(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide

C15H17F3N2O3 — CID 99826475

IUPAC(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H17F3N2O3/c1-20(14(22)12-6-7-13(21)19-12)8-9-23-11-4-2-10(3-5-11)15(16,17)18/h2-5,12H,6-9H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyPRIXAKLAWMRFNR-GFCCVEGCSA-N
MW330.31 g/mol
LogP1.82
Rot. Bonds5

About (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide

(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide (PubChem CID 99826475) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide
PubChem CID99826475
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H17F3N2O3/c1-20(14(22)12-6-7-13(21)19-12)8-9-23-11-4-2-10(3-5-11)15(16,17)18/h2-5,12H,6-9H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyPRIXAKLAWMRFNR-GFCCVEGCSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 166148019
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
(4R)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 95415189
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271069
(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 146122046
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2R)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 9438617

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide (CID 99826475) is (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide is CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PRIXAKLAWMRFNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-20(14(22)12-6-7-13(21)19-12)8-9-23-11-4-2-10(3-5-11)15(16,17)18/h2-5,12H,6-9H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide?
(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99826475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).