N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide

C17H20FNO4 — CID 71804531

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccccc2F)c(C)o1
InChIInChI=1S/C17H20FNO4/c1-11-9-13(12(2)23-11)15(20)7-8-19-17(21)10-22-16-6-4-3-5-14(16)18/h3-6,9,15,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyFSDBHUQSAYXIOU-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.65
Rot. Bonds7

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 71804531) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide
PubChem CID71804531
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C(O)CCNC(=O)COc2ccccc2F)c(C)o1
InChIInChI=1S/C17H20FNO4/c1-11-9-13(12(2)23-11)15(20)7-8-19-17(21)10-22-16-6-4-3-5-14(16)18/h3-6,9,15,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyFSDBHUQSAYXIOU-UHFFFAOYSA-N
XLogP2.65
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide (CID 71804531) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide is Cc1cc(C(O)CCNC(=O)COc2ccccc2F)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is FSDBHUQSAYXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-11-9-13(12(2)23-11)15(20)7-8-19-17(21)10-22-16-6-4-3-5-14(16)18/h3-6,9,15,20H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 321.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 71804531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).