N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H14F3N3O2 — CID 122302066

IUPACN-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ncc(NC(=O)Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14-19-8-12(9-20-14)21-13(22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,21,22)
InChIKeyGDEQCOJMWSMEQM-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.08
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122302066) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID122302066
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ncc(NC(=O)Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14-19-8-12(9-20-14)21-13(22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,21,22)
InChIKeyGDEQCOJMWSMEQM-UHFFFAOYSA-N
XLogP3.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 122302066) is N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is CCOc1ncc(NC(=O)Cc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GDEQCOJMWSMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-23-14-19-8-12(9-20-14)21-13(22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,21,22).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122302066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).