4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide

C23H15F3N2O2 — CID 118153398

IUPAC4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccco3)c2)cc1
InChIInChI=1S/C23H15F3N2O2/c24-23(25,26)18-9-7-15(8-10-18)19-12-17(13-20(28-19)21-2-1-11-30-21)14-3-5-16(6-4-14)22(27)29/h1-13H,(H2,27,29)
InChIKeyZMKPCDSMGOUNNT-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.79
Rot. Bonds4

About 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide

4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide (PubChem CID 118153398) has the molecular formula C23H15F3N2O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide
PubChem CID118153398
Molecular FormulaC23H15F3N2O2
Molecular Weight408.38 g/mol
Exact Mass408.11
IUPAC Name4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccco3)c2)cc1
InChIInChI=1S/C23H15F3N2O2/c24-23(25,26)18-9-7-15(8-10-18)19-12-17(13-20(28-19)21-2-1-11-30-21)14-3-5-16(6-4-14)22(27)29/h1-13H,(H2,27,29)
InChIKeyZMKPCDSMGOUNNT-UHFFFAOYSA-N
XLogP5.79
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide (CID 118153398) is 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccco3)c2)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide?
The InChIKey is ZMKPCDSMGOUNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O2/c24-23(25,26)18-9-7-15(8-10-18)19-12-17(13-20(28-19)21-2-1-11-30-21)14-3-5-16(6-4-14)22(27)29/h1-13H,(H2,27,29).
What are the key properties of 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide?
4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide has a molecular weight of 408.38 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]benzamide is sourced from PubChem (CID 118153398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).