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

C14H20F3N3O2 — CID 47789197

IUPACN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-20-9-8-19-12(20)13(22,14(15,16)17)6-7-18-11(21)10-4-2-3-5-10/h8-10,22H,2-7H2,1H3,(H,18,21)
InChIKeyQKGCXPVJCJRAIR-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.87
Rot. Bonds5

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

N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide (PubChem CID 47789197) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide
PubChem CID47789197
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-20-9-8-19-12(20)13(22,14(15,16)17)6-7-18-11(21)10-4-2-3-5-10/h8-10,22H,2-7H2,1H3,(H,18,21)
InChIKeyQKGCXPVJCJRAIR-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide?
The IUPAC name of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide (CID 47789197) is N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide is Cn1ccnc1C(O)(CCNC(=O)C1CCCC1)C(F)(F)F.
What is the InChIKey of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide?
The InChIKey is QKGCXPVJCJRAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-20-9-8-19-12(20)13(22,14(15,16)17)6-7-18-11(21)10-4-2-3-5-10/h8-10,22H,2-7H2,1H3,(H,18,21).
What are the key properties of N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide?
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclopentanecarboxamide is sourced from PubChem (CID 47789197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).