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

C14H15F3N2O2 — CID 95059523

IUPAC(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-2-1-3-9(10)7-8-18-13(21)11-5-6-12(20)19-11/h1-4,11H,5-8H2,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyJPQHDPGQIUCSBI-NSHDSACASA-N
MW300.28 g/mol
LogP1.64
Rot. Bonds4

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

(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 95059523) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID95059523
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-2-1-3-9(10)7-8-18-13(21)11-5-6-12(20)19-11/h1-4,11H,5-8H2,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyJPQHDPGQIUCSBI-NSHDSACASA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 167760823
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide
CID 75372390
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 97018652
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110663932
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 95059523) is (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)N1.
What is the InChIKey of (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JPQHDPGQIUCSBI-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-2-1-3-9(10)7-8-18-13(21)11-5-6-12(20)19-11/h1-4,11H,5-8H2,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95059523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).