4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide

C23H16F3NO3 — CID 143264365

IUPAC4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c3ccoc23)cc1
InChIInChI=1S/C23H16F3NO3/c1-13-5-7-14(8-6-13)18-12-19(20(28)17-9-10-30-21(17)18)22(29)27-16-4-2-3-15(11-16)23(24,25)26/h2-12,28H,1H3,(H,27,29)
InChIKeyIXLBPIYIJBEUML-UHFFFAOYSA-N
MW411.38 g/mol
LogP6.38
Rot. Bonds3

About 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide

4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide (PubChem CID 143264365) has the molecular formula C23H16F3NO3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide
PubChem CID143264365
Molecular FormulaC23H16F3NO3
Molecular Weight411.38 g/mol
Exact Mass411.11
IUPAC Name4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c3ccoc23)cc1
InChIInChI=1S/C23H16F3NO3/c1-13-5-7-14(8-6-13)18-12-19(20(28)17-9-10-30-21(17)18)22(29)27-16-4-2-3-15(11-16)23(24,25)26/h2-12,28H,1H3,(H,27,29)
InChIKeyIXLBPIYIJBEUML-UHFFFAOYSA-N
XLogP6.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
CID 10020572
4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 122232635
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide (CID 143264365) is 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(O)c3ccoc23)cc1.
What is the InChIKey of 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide?
The InChIKey is IXLBPIYIJBEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO3/c1-13-5-7-14(8-6-13)18-12-19(20(28)17-9-10-30-21(17)18)22(29)27-16-4-2-3-15(11-16)23(24,25)26/h2-12,28H,1H3,(H,27,29).
What are the key properties of 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide?
4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide has a molecular weight of 411.38 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 143264365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).