N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide

C21H18FN3O3 — CID 53136848

IUPACN-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H18FN3O3/c1-13-11-20(25-21(23-13)16-3-7-17(22)8-4-16)28-12-19(27)24-18-9-5-15(6-10-18)14(2)26/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyJVNPNZDWFCJIKM-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.81
Rot. Bonds6

About N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide

N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (PubChem CID 53136848) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
PubChem CID53136848
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H18FN3O3/c1-13-11-20(25-21(23-13)16-3-7-17(22)8-4-16)28-12-19(27)24-18-9-5-15(6-10-18)14(2)26/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyJVNPNZDWFCJIKM-UHFFFAOYSA-N
XLogP3.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136960
N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136920
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136931
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide (CID 53136848) is N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is CC(=O)c1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
The InChIKey is JVNPNZDWFCJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-13-11-20(25-21(23-13)16-3-7-17(22)8-4-16)28-12-19(27)24-18-9-5-15(6-10-18)14(2)26/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide?
N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide has a molecular weight of 379.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).