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

C20H17BrFN3O2 — CID 53136824

IUPACN-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C20H17BrFN3O2/c1-12-3-5-14(6-4-12)20-23-13(2)9-19(25-20)27-11-18(26)24-17-8-7-15(21)10-16(17)22/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyGOOJYSWGSRICRE-UHFFFAOYSA-N
MW430.28 g/mol
LogP4.68
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (PubChem CID 53136824) has the molecular formula C20H17BrFN3O2 and a molecular weight of 430.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
PubChem CID53136824
Molecular FormulaC20H17BrFN3O2
Molecular Weight430.28 g/mol
Exact Mass429.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C20H17BrFN3O2/c1-12-3-5-14(6-4-12)20-23-13(2)9-19(25-20)27-11-18(26)24-17-8-7-15(21)10-16(17)22/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyGOOJYSWGSRICRE-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136896
N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2124321
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
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (CID 53136824) is N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Br)cc3F)n2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The InChIKey is GOOJYSWGSRICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O2/c1-12-3-5-14(6-4-12)20-23-13(2)9-19(25-20)27-11-18(26)24-17-8-7-15(21)10-16(17)22/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide has a molecular weight of 430.28 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).