N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide

C16H17F2N3O2 — CID 2098908

IUPACN-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)c(F)c2)nc(C(C)C)n1
InChIInChI=1S/C16H17F2N3O2/c1-9(2)16-19-10(3)6-15(21-16)23-8-14(22)20-11-4-5-12(17)13(18)7-11/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyQZTWVDABLHWVLS-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.20
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide

N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 2098908) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
PubChem CID2098908
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)c(F)c2)nc(C(C)C)n1
InChIInChI=1S/C16H17F2N3O2/c1-9(2)16-19-10(3)6-15(21-16)23-8-14(22)20-11-4-5-12(17)13(18)7-11/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyQZTWVDABLHWVLS-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide (CID 2098908) is N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide is Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)nc(C(C)C)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is QZTWVDABLHWVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-9(2)16-19-10(3)6-15(21-16)23-8-14(22)20-11-4-5-12(17)13(18)7-11/h4-7,9H,8H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide?
N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 321.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2098908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).