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

C21H17F4N3O2 — CID 53136920

IUPACN-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H17F4N3O2/c1-12-3-8-16(22)10-17(12)27-18(29)11-30-19-9-13(2)26-20(28-19)14-4-6-15(7-5-14)21(23,24)25/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyJDCRPFVYGFNDDL-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.94
Rot. Bonds5

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

N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide (PubChem CID 53136920) has the molecular formula C21H17F4N3O2 and a molecular weight of 419.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
PubChem CID53136920
Molecular FormulaC21H17F4N3O2
Molecular Weight419.38 g/mol
Exact Mass419.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H17F4N3O2/c1-12-3-8-16(22)10-17(12)27-18(29)11-30-19-9-13(2)26-20(28-19)14-4-6-15(7-5-14)21(23,24)25/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyJDCRPFVYGFNDDL-UHFFFAOYSA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide
CID 53136896
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
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136931
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide (CID 53136920) is N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide is Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
The InChIKey is JDCRPFVYGFNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O2/c1-12-3-8-16(22)10-17(12)27-18(29)11-30-19-9-13(2)26-20(28-19)14-4-6-15(7-5-14)21(23,24)25/h3-10H,11H2,1-2H3,(H,27,29).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide?
N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide has a molecular weight of 419.38 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).