2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

C18H20FN3O2 — CID 110117730

IUPAC2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-3-4-13(8-15)9-17(23)20-10-14-11-21-18(22-12-14)16-6-1-2-7-24-16/h3-5,8,11-12,16H,1-2,6-7,9-10H2,(H,20,23)
InChIKeyVCNMDPJPUQOXFT-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.72
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 110117730) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID110117730
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-3-4-13(8-15)9-17(23)20-10-14-11-21-18(22-12-14)16-6-1-2-7-24-16/h3-5,8,11-12,16H,1-2,6-7,9-10H2,(H,20,23)
InChIKeyVCNMDPJPUQOXFT-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-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (CID 110117730) is 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is VCNMDPJPUQOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-3-4-13(8-15)9-17(23)20-10-14-11-21-18(22-12-14)16-6-1-2-7-24-16/h3-5,8,11-12,16H,1-2,6-7,9-10H2,(H,20,23).
What are the key properties of 2-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
2-(3-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-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110117730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).