4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide

C15H15F3N2O4 — CID 110883173

IUPAC4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O4/c1-9-3-5-11(24-9)14(22,15(16,17)18)7-12(21)20-10-4-6-13(23-2)19-8-10/h3-6,8,22H,7H2,1-2H3,(H,20,21)
InChIKeyFJSYUARFHHDIKP-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.77
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110883173) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
PubChem CID110883173
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O4/c1-9-3-5-11(24-9)14(22,15(16,17)18)7-12(21)20-10-4-6-13(23-2)19-8-10/h3-6,8,22H,7H2,1-2H3,(H,20,21)
InChIKeyFJSYUARFHHDIKP-UHFFFAOYSA-N
XLogP2.77
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883224
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
CID 43156078
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide (CID 110883173) is 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide is COc1ccc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is FJSYUARFHHDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-9-3-5-11(24-9)14(22,15(16,17)18)7-12(21)20-10-4-6-13(23-2)19-8-10/h3-6,8,22H,7H2,1-2H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 344.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110883173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).