2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

C15H20F3N3O2 — CID 47789015

IUPAC2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1C=CCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-21-9-8-20-13(21)14(23,15(16,17)18)6-7-19-12(22)10-11-4-2-3-5-11/h2,4,8-9,11,23H,3,5-7,10H2,1H3,(H,19,22)
InChIKeyHGFNQMLRVOQJRY-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.03
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 47789015) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID47789015
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1C=CCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-21-9-8-20-13(21)14(23,15(16,17)18)6-7-19-12(22)10-11-4-2-3-5-11/h2,4,8-9,11,23H,3,5-7,10H2,1H3,(H,19,22)
InChIKeyHGFNQMLRVOQJRY-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 47789015) is 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1C(O)(CCNC(=O)CC1C=CCC1)C(F)(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is HGFNQMLRVOQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-21-9-8-20-13(21)14(23,15(16,17)18)6-7-19-12(22)10-11-4-2-3-5-11/h2,4,8-9,11,23H,3,5-7,10H2,1H3,(H,19,22).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 47789015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).