2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

C18H20FN3O2 — CID 110117728

IUPAC2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O2/c19-15-6-4-13(5-7-15)9-17(23)20-10-14-11-21-18(22-12-14)16-3-1-2-8-24-16/h4-7,11-12,16H,1-3,8-10H2,(H,20,23)
InChIKeySJDOZDGPBTXBAQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 110117728) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID110117728
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O2/c19-15-6-4-13(5-7-15)9-17(23)20-10-14-11-21-18(22-12-14)16-3-1-2-8-24-16/h4-7,11-12,16H,1-3,8-10H2,(H,20,23)
InChIKeySJDOZDGPBTXBAQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (CID 110117728) is 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is SJDOZDGPBTXBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-6-4-13(5-7-15)9-17(23)20-10-14-11-21-18(22-12-14)16-3-1-2-8-24-16/h4-7,11-12,16H,1-3,8-10H2,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110117728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).