2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone

C17H17FN2O2 — CID 11231872

IUPAC2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17FN2O2/c18-15-4-1-13(2-5-15)11-16(21)14-3-6-17(19-12-14)20-7-9-22-10-8-20/h1-6,12H,7-11H2
InChIKeyJEHFHVBIUFVAGD-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone

2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 11231872) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID11231872
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17FN2O2/c18-15-4-1-13(2-5-15)11-16(21)14-3-6-17(19-12-14)20-7-9-22-10-8-20/h1-6,12H,7-11H2
InChIKeyJEHFHVBIUFVAGD-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone (CID 11231872) is 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is JEHFHVBIUFVAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-4-1-13(2-5-15)11-16(21)14-3-6-17(19-12-14)20-7-9-22-10-8-20/h1-6,12H,7-11H2.
What are the key properties of 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 300.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 11231872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).