2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

C14H14FN3O3 — CID 121121484

IUPAC2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1cnccc1=O
InChIInChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-7-8-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19)
InChIKeyPJZDMODUWYDSEN-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.58
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121484) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121484
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1cnccc1=O
InChIInChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-7-8-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19)
InChIKeyPJZDMODUWYDSEN-UHFFFAOYSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121484) is 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCn1cnccc1=O.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is PJZDMODUWYDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)17-7-8-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).