1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione

C19H15FN2O4 — CID 56680398

IUPAC1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1cc(F)ccc1OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H15FN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)
InChIKeyNPYSALCCHREEHW-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.99
Rot. Bonds6

About 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione

1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 56680398) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID56680398
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1cc(F)ccc1OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H15FN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)
InChIKeyNPYSALCCHREEHW-UHFFFAOYSA-N
XLogP1.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione (CID 56680398) is 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione is O=C(c1ccccc1)c1cc(F)ccc1OCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is NPYSALCCHREEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25).
What are the key properties of 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzoyl-4-fluorophenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56680398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).