4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide

C22H15F3N2O2 — CID 46943085

IUPAC4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccnc2)c2ccoc12
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)16-5-3-14(4-6-16)12-27-21(28)19-8-7-17(15-2-1-10-26-13-15)18-9-11-29-20(18)19/h1-11,13H,12H2,(H,27,28)
InChIKeyVGQMGRDQFMJPSP-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.44
Rot. Bonds4

About 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide

4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide (PubChem CID 46943085) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide
PubChem CID46943085
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccnc2)c2ccoc12
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)16-5-3-14(4-6-16)12-27-21(28)19-8-7-17(15-2-1-10-26-13-15)18-9-11-29-20(18)19/h1-11,13H,12H2,(H,27,28)
InChIKeyVGQMGRDQFMJPSP-UHFFFAOYSA-N
XLogP5.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide (CID 46943085) is 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccnc2)c2ccoc12.
What is the InChIKey of 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide?
The InChIKey is VGQMGRDQFMJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-22(24,25)16-5-3-14(4-6-16)12-27-21(28)19-8-7-17(15-2-1-10-26-13-15)18-9-11-29-20(18)19/h1-11,13H,12H2,(H,27,28).
What are the key properties of 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide?
4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46943085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).