4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide

C15H15F3N2O3 — CID 110883200

IUPAC4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2ccccn2)C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-10-5-6-12(23-10)14(22,15(16,17)18)8-13(21)20-9-11-4-2-3-7-19-11/h2-7,22H,8-9H2,1H3,(H,20,21)
InChIKeyXNMIYZZYZXEGSF-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.44
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 110883200) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID110883200
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2ccccn2)C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-10-5-6-12(23-10)14(22,15(16,17)18)8-13(21)20-9-11-4-2-3-7-19-11/h2-7,22H,8-9H2,1H3,(H,20,21)
InChIKeyXNMIYZZYZXEGSF-UHFFFAOYSA-N
XLogP2.44
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883209
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883173
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
N'-[4-(5-methylfuran-2-yl)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
CID 3845207
2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid
CID 43529648
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide (CID 110883200) is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide is Cc1ccc(C(O)(CC(=O)NCc2ccccn2)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is XNMIYZZYZXEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-10-5-6-12(23-10)14(22,15(16,17)18)8-13(21)20-9-11-4-2-3-7-19-11/h2-7,22H,8-9H2,1H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 328.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 110883200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).