N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide

C20H18BrN3O2 — CID 53136821

IUPACN-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H18BrN3O2/c1-13-7-9-15(10-8-13)20-22-14(2)11-19(24-20)26-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyYFKSYXWEYDOGGP-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.54
Rot. Bonds5

About N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide

N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (PubChem CID 53136821) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
PubChem CID53136821
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC NameN-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H18BrN3O2/c1-13-7-9-15(10-8-13)20-22-14(2)11-19(24-20)26-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyYFKSYXWEYDOGGP-UHFFFAOYSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136896
N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
CID 39009374
2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
CID 63322380
N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136920
N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136848
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (CID 53136821) is N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3Br)n2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The InChIKey is YFKSYXWEYDOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-13-7-9-15(10-8-13)20-22-14(2)11-19(24-20)26-12-18(25)23-17-6-4-3-5-16(17)21/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide has a molecular weight of 412.29 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).