N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide

C15H11F3N2O2 — CID 108740251

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1oc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1C
InChIInChI=1S/C15H11F3N2O2/c1-8-9(2)22-14(12(8)7-19)20-13(21)10-3-5-11(6-4-10)15(16,17)18/h3-6H,1-2H3,(H,20,21)
InChIKeyDXHOTNWCMIOLTD-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.04
Rot. Bonds2

About N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 108740251) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID108740251
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1oc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1C
InChIInChI=1S/C15H11F3N2O2/c1-8-9(2)22-14(12(8)7-19)20-13(21)10-3-5-11(6-4-10)15(16,17)18/h3-6H,1-2H3,(H,20,21)
InChIKeyDXHOTNWCMIOLTD-UHFFFAOYSA-N
XLogP4.04
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide (CID 108740251) is N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide is Cc1oc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is DXHOTNWCMIOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-8-9(2)22-14(12(8)7-19)20-13(21)10-3-5-11(6-4-10)15(16,17)18/h3-6H,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 308.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108740251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).