2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

C16H16F3N3O — CID 136565402

IUPAC2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O/c1-10-5-3-4-6-12(10)11(2)15(23)21-9-14-20-8-7-13(22-14)16(17,18)19/h3-8,11H,9H2,1-2H3,(H,21,23)
InChIKeyUSAAZEFNLONRND-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.22
Rot. Bonds4

About 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (PubChem CID 136565402) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
PubChem CID136565402
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O/c1-10-5-3-4-6-12(10)11(2)15(23)21-9-14-20-8-7-13(22-14)16(17,18)19/h3-8,11H,9H2,1-2H3,(H,21,23)
InChIKeyUSAAZEFNLONRND-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (CID 136565402) is 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is Cc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is USAAZEFNLONRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10-5-3-4-6-12(10)11(2)15(23)21-9-14-20-8-7-13(22-14)16(17,18)19/h3-8,11H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 323.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 136565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).