N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide

C15H18F3N3O2 — CID 95932398

IUPACN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
SMILESCN1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1=O
InChIInChI=1S/C15H18F3N3O2/c1-21-8-7-11(14(21)23)20-12(22)9-19-13(15(16,17)18)10-5-3-2-4-6-10/h2-6,11,13,19H,7-9H2,1H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyPBWUELWUHJWARE-AAEUAGOBSA-N
MW329.32 g/mol
LogP1.23
Rot. Bonds5

About N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide (PubChem CID 95932398) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
PubChem CID95932398
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
SMILESCN1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1=O
InChIInChI=1S/C15H18F3N3O2/c1-21-8-7-11(14(21)23)20-12(22)9-19-13(15(16,17)18)10-5-3-2-4-6-10/h2-6,11,13,19H,7-9H2,1H3,(H,20,22)/t11-,13-/m0/s1
InChIKeyPBWUELWUHJWARE-AAEUAGOBSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide (CID 95932398) is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide is CN1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide?
The InChIKey is PBWUELWUHJWARE-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-21-8-7-11(14(21)23)20-12(22)9-19-13(15(16,17)18)10-5-3-2-4-6-10/h2-6,11,13,19H,7-9H2,1H3,(H,20,22)/t11-,13-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide?
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 95932398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).