N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

C16H16F3N3O2 — CID 122355870

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCCOc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1
InChIInChI=1S/C16H16F3N3O2/c1-4-24-15-20-9(2)13(10(3)21-15)22-14(23)11-7-5-6-8-12(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,22,23)
InChIKeyZEVUEZLBLPDNFA-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.76
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 122355870) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID122355870
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCCOc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1
InChIInChI=1S/C16H16F3N3O2/c1-4-24-15-20-9(2)13(10(3)21-15)22-14(23)11-7-5-6-8-12(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,22,23)
InChIKeyZEVUEZLBLPDNFA-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
CID 122356065
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (CID 122355870) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is CCOc1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ZEVUEZLBLPDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-4-24-15-20-9(2)13(10(3)21-15)22-14(23)11-7-5-6-8-12(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 339.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122355870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).