3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide

C21H20FN3O2 — CID 46388852

IUPAC3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(2)13-24-21(26)16-6-4-8-18(12-16)27-19-9-10-23-20(25-19)15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYOHKETSVROHKJG-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.46
Rot. Bonds6

About 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide

3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide (PubChem CID 46388852) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
PubChem CID46388852
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C21H20FN3O2/c1-14(2)13-24-21(26)16-6-4-8-18(12-16)27-19-9-10-23-20(25-19)15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYOHKETSVROHKJG-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide (CID 46388852) is 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(Oc2ccnc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The InChIKey is YOHKETSVROHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(2)13-24-21(26)16-6-4-8-18(12-16)27-19-9-10-23-20(25-19)15-5-3-7-17(22)11-15/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide has a molecular weight of 365.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46388852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).