N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide

C15H11F3N2O2 — CID 30224738

IUPACN-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C15H11F3N2O2/c1-9(21)20-11-7-8-19-14(15(16,17)18)12(11)13(22)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20,21)
InChIKeyNOIIKQKKGPZEDF-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.29
Rot. Bonds3

About N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide

N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide (PubChem CID 30224738) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide
PubChem CID30224738
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C15H11F3N2O2/c1-9(21)20-11-7-8-19-14(15(16,17)18)12(11)13(22)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20,21)
InChIKeyNOIIKQKKGPZEDF-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide?
The IUPAC name of N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide (CID 30224738) is N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide.
What is the SMILES notation for N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide?
The canonical SMILES for N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide is CC(=O)Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1.
What is the InChIKey of N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide?
The InChIKey is NOIIKQKKGPZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-9(21)20-11-7-8-19-14(15(16,17)18)12(11)13(22)10-5-3-2-4-6-10/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide?
N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide has a molecular weight of 308.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 30224738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).