N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C16H15F3N2O2 — CID 31336227

IUPACN-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N2O2/c1-11-3-2-4-14(20-11)21-15(22)13-7-5-12(6-8-13)9-23-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyIMSHPWZYBMDAMR-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.72
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 31336227) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID31336227
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N2O2/c1-11-3-2-4-14(20-11)21-15(22)13-7-5-12(6-8-13)9-23-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyIMSHPWZYBMDAMR-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 31336227) is N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is IMSHPWZYBMDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-11-3-2-4-14(20-11)21-15(22)13-7-5-12(6-8-13)9-23-10-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 324.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 31336227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).