2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide

C15H16FN3O3 — CID 121121481

IUPAC2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCCn1cnccc1=O
InChIInChI=1S/C15H16FN3O3/c1-11(22-13-4-2-3-12(16)9-13)15(21)18-7-8-19-10-17-6-5-14(19)20/h2-6,9-11H,7-8H2,1H3,(H,18,21)
InChIKeyGZMGKGCUWDUYIP-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.97
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide

2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121121481) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121121481
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCCn1cnccc1=O
InChIInChI=1S/C15H16FN3O3/c1-11(22-13-4-2-3-12(16)9-13)15(21)18-7-8-19-10-17-6-5-14(19)20/h2-6,9-11H,7-8H2,1H3,(H,18,21)
InChIKeyGZMGKGCUWDUYIP-UHFFFAOYSA-N
XLogP0.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121121481) is 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is CC(Oc1cccc(F)c1)C(=O)NCCn1cnccc1=O.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is GZMGKGCUWDUYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-11(22-13-4-2-3-12(16)9-13)15(21)18-7-8-19-10-17-6-5-14(19)20/h2-6,9-11H,7-8H2,1H3,(H,18,21).
What are the key properties of 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 305.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121121481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).