2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide

C18H23F3N2O2 — CID 134847813

IUPAC2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCNC(=O)C(c1ccc(C(F)(F)F)cc1)N1CCCC1=O
InChIInChI=1S/C18H23F3N2O2/c1-2-3-4-11-22-17(25)16(23-12-5-6-15(23)24)13-7-9-14(10-8-13)18(19,20)21/h7-10,16H,2-6,11-12H2,1H3,(H,22,25)
InChIKeyXISYFDTVVXBOMV-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.68
Rot. Bonds7

About 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 134847813) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID134847813
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCNC(=O)C(c1ccc(C(F)(F)F)cc1)N1CCCC1=O
InChIInChI=1S/C18H23F3N2O2/c1-2-3-4-11-22-17(25)16(23-12-5-6-15(23)24)13-7-9-14(10-8-13)18(19,20)21/h7-10,16H,2-6,11-12H2,1H3,(H,22,25)
InChIKeyXISYFDTVVXBOMV-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Brl-52656
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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
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(3S,6S,10aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 24754886
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 134847813) is 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCCCCNC(=O)C(c1ccc(C(F)(F)F)cc1)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XISYFDTVVXBOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-2-3-4-11-22-17(25)16(23-12-5-6-15(23)24)13-7-9-14(10-8-13)18(19,20)21/h7-10,16H,2-6,11-12H2,1H3,(H,22,25).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 134847813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).