N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

C18H19FN2O5 — CID 51052721

IUPACN-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O5/c19-14-3-1-2-4-15(14)20-18(23)12-26-17-11-25-13(9-16(17)22)10-21-5-7-24-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,23)
InChIKeyJPAAJXQVBLZZKR-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.63
Rot. Bonds6

About N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 51052721) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID51052721
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC NameN-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O5/c19-14-3-1-2-4-15(14)20-18(23)12-26-17-11-25-13(9-16(17)22)10-21-5-7-24-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,23)
InChIKeyJPAAJXQVBLZZKR-UHFFFAOYSA-N
XLogP1.63
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 51052721) is N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is JPAAJXQVBLZZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c19-14-3-1-2-4-15(14)20-18(23)12-26-17-11-25-13(9-16(17)22)10-21-5-7-24-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 362.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 51052721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).