N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide

C22H20F3N3O3 — CID 53136896

IUPACN-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O3/c1-13-4-9-18(30-3)17(10-13)27-19(29)12-31-20-11-14(2)26-21(28-20)15-5-7-16(8-6-15)22(23,24)25/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyUYTMLRNMJIRAEQ-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.81
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide

N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide (PubChem CID 53136896) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
PubChem CID53136896
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O3/c1-13-4-9-18(30-3)17(10-13)27-19(29)12-31-20-11-14(2)26-21(28-20)15-5-7-16(8-6-15)22(23,24)25/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyUYTMLRNMJIRAEQ-UHFFFAOYSA-N
XLogP4.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136920
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7690200
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112
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-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide (CID 53136896) is N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide is COc1ccc(C)cc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The InChIKey is UYTMLRNMJIRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-13-4-9-18(30-3)17(10-13)27-19(29)12-31-20-11-14(2)26-21(28-20)15-5-7-16(8-6-15)22(23,24)25/h4-11H,12H2,1-3H3,(H,27,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide has a molecular weight of 431.41 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).