4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide

C15H13F3N2O3 — CID 2392997

IUPAC4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-20-12(15(16,17)18)8-7-11(14(20)22)19-13(21)9-3-5-10(23-2)6-4-9/h3-8H,1-2H3,(H,19,21)
InChIKeyBWLBTNBENBKXPH-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.66
Rot. Bonds3

About 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide

4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 2392997) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID2392997
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-20-12(15(16,17)18)8-7-11(14(20)22)19-13(21)9-3-5-10(23-2)6-4-9/h3-8H,1-2H3,(H,19,21)
InChIKeyBWLBTNBENBKXPH-UHFFFAOYSA-N
XLogP2.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 2392997) is 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is BWLBTNBENBKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-20-12(15(16,17)18)8-7-11(14(20)22)19-13(21)9-3-5-10(23-2)6-4-9/h3-8H,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 326.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 2392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).