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

C15H22F3N3O3 — CID 111430738

IUPAC2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-9-8-20-12(21)14(24,15(16,17)18)6-7-19-11(22)10-13(23)4-2-3-5-13/h8-9,23-24H,2-7,10H2,1H3,(H,19,22)
InChIKeyTUIJOGHOODAELI-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.37
Rot. Bonds6

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

2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 111430738) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID111430738
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C15H22F3N3O3/c1-21-9-8-20-12(21)14(24,15(16,17)18)6-7-19-11(22)10-13(23)4-2-3-5-13/h8-9,23-24H,2-7,10H2,1H3,(H,19,22)
InChIKeyTUIJOGHOODAELI-UHFFFAOYSA-N
XLogP1.37
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 111430738) is 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1C(O)(CCNC(=O)CC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is TUIJOGHOODAELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-21-9-8-20-12(21)14(24,15(16,17)18)6-7-19-11(22)10-13(23)4-2-3-5-13/h8-9,23-24H,2-7,10H2,1H3,(H,19,22).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 349.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 111430738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).