N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C15H14F3N3O2 — CID 67743465

IUPACN-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-10-19-7-6-13(20-10)21-14(22)8-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20,21,22)
InChIKeyDBMXJVVJWXSHLU-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.91
Rot. Bonds5

About N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 67743465) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID67743465
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-10-19-7-6-13(20-10)21-14(22)8-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20,21,22)
InChIKeyDBMXJVVJWXSHLU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
CID 19423470
2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
CID 126740640
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
CID 19423455
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
N-(6-methyl-2-pyridinyl)-3-[[N'-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111871256
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 67743465) is N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1.
What is the InChIKey of N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is DBMXJVVJWXSHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10-19-7-6-13(20-10)21-14(22)8-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20,21,22).
What are the key properties of N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 67743465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).