2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide

C17H21F3N2O2 — CID 18654610

IUPAC2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
SMILESC[C@@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-11(21(3)16(24)17(18,19)20)14-9-15(23)22(10-14)12(2)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12-,14+/m0/s1
InChIKeyOZLVELWQPHGCIK-SGMGOOAPSA-N
MW342.36 g/mol
LogP3.01
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide (PubChem CID 18654610) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
PubChem CID18654610
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
SMILESC[C@@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-11(21(3)16(24)17(18,19)20)14-9-15(23)22(10-14)12(2)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12-,14+/m0/s1
InChIKeyOZLVELWQPHGCIK-SGMGOOAPSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide (CID 18654610) is 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide is C[C@@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide?
The InChIKey is OZLVELWQPHGCIK-SGMGOOAPSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(21(3)16(24)17(18,19)20)14-9-15(23)22(10-14)12(2)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12-,14+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 18654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).