N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide

C13H8F3NO3 — CID 3881069

IUPACN-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccccc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyDIMPADHKHYVVBD-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.91
Rot. Bonds2

About N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide

N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide (PubChem CID 3881069) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide
PubChem CID3881069
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC NameN-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccccc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyDIMPADHKHYVVBD-UHFFFAOYSA-N
XLogP2.91
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide?
The IUPAC name of N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide (CID 3881069) is N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide.
What is the SMILES notation for N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide?
The canonical SMILES for N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide is O=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide?
The InChIKey is DIMPADHKHYVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)10-7-6-9(12(19)20-10)17-11(18)8-4-2-1-3-5-8/h1-7H,(H,17,18).
What are the key properties of N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide?
N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide has a molecular weight of 283.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-6-(trifluoromethyl)pyran-3-yl]benzamide is sourced from PubChem (CID 3881069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).