[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate

C18H23F3N2O3 — CID 174931684

IUPAC[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(=O)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O3/c1-17(2,3)22-16(25)26-11-15(24)23-10-6-9-14(23)12-7-4-5-8-13(12)18(19,20)21/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,22,25)
InChIKeyMXOQNTDWRRPANX-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.89
Rot. Bonds3

About [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate

[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate (PubChem CID 174931684) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
PubChem CID174931684
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(=O)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O3/c1-17(2,3)22-16(25)26-11-15(24)23-10-6-9-14(23)12-7-4-5-8-13(12)18(19,20)21/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,22,25)
InChIKeyMXOQNTDWRRPANX-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55890319
cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 95290891
1-[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]pyrazole-4-carboxylic acid
CID 146108561
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 146085152
1-[2-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
CID 174870012
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
2-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 67435354
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
3-amino-1-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]propan-1-one;hydrochloride
CID 67435313
3-[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 67434013
2-(dimethylamino)ethyl 4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67435203

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate?
The IUPAC name of [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate (CID 174931684) is [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate?
The canonical SMILES for [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(=O)N1CCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate?
The InChIKey is MXOQNTDWRRPANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-17(2,3)22-16(25)26-11-15(24)23-10-6-9-14(23)12-7-4-5-8-13(12)18(19,20)21/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,22,25).
What are the key properties of [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate?
[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate has a molecular weight of 372.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 174931684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).