2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide

C15H14F3N3O2 — CID 136564651

IUPAC2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)NCc1ncccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c1-23-13(10-5-2-3-6-11(10)15(16,17)18)14(22)21-9-12-19-7-4-8-20-12/h2-8,13H,9H2,1H3,(H,21,22)
InChIKeyHPOZONMTLXTTLW-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.50
Rot. Bonds5

About 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide

2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 136564651) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID136564651
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)NCc1ncccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c1-23-13(10-5-2-3-6-11(10)15(16,17)18)14(22)21-9-12-19-7-4-8-20-12/h2-8,13H,9H2,1H3,(H,21,22)
InChIKeyHPOZONMTLXTTLW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 136564651) is 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide is COC(C(=O)NCc1ncccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HPOZONMTLXTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-23-13(10-5-2-3-6-11(10)15(16,17)18)14(22)21-9-12-19-7-4-8-20-12/h2-8,13H,9H2,1H3,(H,21,22).
What are the key properties of 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide?
2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyrimidin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136564651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).