2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide

C16H16F3N3O2 — CID 71796955

IUPAC2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-9-13(16(17,18)19)22-14(21-10)7-8-20-15(23)11-5-3-4-6-12(11)24-2/h3-6,9H,7-8H2,1-2H3,(H,20,23)
InChIKeyVTGMHSNGFXVHJW-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.78
Rot. Bonds5

About 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide

2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide (PubChem CID 71796955) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
PubChem CID71796955
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-9-13(16(17,18)19)22-14(21-10)7-8-20-15(23)11-5-3-4-6-12(11)24-2/h3-6,9H,7-8H2,1-2H3,(H,20,23)
InChIKeyVTGMHSNGFXVHJW-UHFFFAOYSA-N
XLogP2.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea
CID 71797025
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
3-(furan-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]prop-2-enamide
CID 71960531
2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320225
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide (CID 71796955) is 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The InChIKey is VTGMHSNGFXVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-9-13(16(17,18)19)22-14(21-10)7-8-20-15(23)11-5-3-4-6-12(11)24-2/h3-6,9H,7-8H2,1-2H3,(H,20,23).
What are the key properties of 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide has a molecular weight of 339.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 71796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).