6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide

C22H24FNO4 — CID 177038592

IUPAC6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide
SMILESCOCC(C)(C)NC(=O)c1c(C)oc2cc(F)c(Oc3ccccc3C)cc12
InChIInChI=1S/C22H24FNO4/c1-13-8-6-7-9-17(13)28-19-10-15-18(11-16(19)23)27-14(2)20(15)21(25)24-22(3,4)12-26-5/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyUEKZXFMTOVPQAI-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.14
Rot. Bonds6

About 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide

6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide (PubChem CID 177038592) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide
PubChem CID177038592
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide
SMILESCOCC(C)(C)NC(=O)c1c(C)oc2cc(F)c(Oc3ccccc3C)cc12
InChIInChI=1S/C22H24FNO4/c1-13-8-6-7-9-17(13)28-19-10-15-18(11-16(19)23)27-14(2)20(15)21(25)24-22(3,4)12-26-5/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyUEKZXFMTOVPQAI-UHFFFAOYSA-N
XLogP5.14
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide (CID 177038592) is 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide is COCC(C)(C)NC(=O)c1c(C)oc2cc(F)c(Oc3ccccc3C)cc12.
What is the InChIKey of 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide?
The InChIKey is UEKZXFMTOVPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-13-8-6-7-9-17(13)28-19-10-15-18(11-16(19)23)27-14(2)20(15)21(25)24-22(3,4)12-26-5/h6-11H,12H2,1-5H3,(H,24,25).
What are the key properties of 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide?
6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 177038592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).