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

C14H14FN3O3 — CID 121064209

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-8-7-17-13(19)9-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19)
InChIKeyQEZOHVXLXUJHCA-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.58
Rot. Bonds6

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

N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064209) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064209
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-8-7-17-13(19)9-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19)
InChIKeyQEZOHVXLXUJHCA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064209) is N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QEZOHVXLXUJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-1-3-12(4-2-11)21-8-7-17-13(19)9-18-10-16-6-5-14(18)20/h1-6,10H,7-9H2,(H,17,19).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)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 N-[2-(4-fluorophenoxy)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).