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

C14H14FN3O2 — CID 90516229

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C14H14FN3O2/c1-10(19)16-6-7-18-9-17-13(8-14(18)20)11-2-4-12(15)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyILKCXRUWYGINCU-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.19
Rot. Bonds4

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

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide (PubChem CID 90516229) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
PubChem CID90516229
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C14H14FN3O2/c1-10(19)16-6-7-18-9-17-13(8-14(18)20)11-2-4-12(15)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyILKCXRUWYGINCU-UHFFFAOYSA-N
XLogP1.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide (CID 90516229) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide is CC(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
The InChIKey is ILKCXRUWYGINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-10(19)16-6-7-18-9-17-13(8-14(18)20)11-2-4-12(15)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide has a molecular weight of 275.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 90516229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).