N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide

C16H18FN3O2 — CID 2098909

IUPACN-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2F)nc(C(C)C)n1
InChIInChI=1S/C16H18FN3O2/c1-10(2)16-18-11(3)8-15(20-16)22-9-14(21)19-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyRJIDGFPJYQANQH-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.07
Rot. Bonds5

About N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide

N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 2098909) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
PubChem CID2098909
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2F)nc(C(C)C)n1
InChIInChI=1S/C16H18FN3O2/c1-10(2)16-18-11(3)8-15(20-16)22-9-14(21)19-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyRJIDGFPJYQANQH-UHFFFAOYSA-N
XLogP3.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide (CID 2098909) is N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide is Cc1cc(OCC(=O)Nc2ccccc2F)nc(C(C)C)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is RJIDGFPJYQANQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10(2)16-18-11(3)8-15(20-16)22-9-14(21)19-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 303.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2098909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).