7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide

C23H23FN2O4 — CID 162763865

IUPAC7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC(C)(C)CO)oc12
InChIInChI=1S/C23H23FN2O4/c1-13(2)29-19-6-5-14(11-25)7-17(19)18-10-16(24)8-15-9-20(30-21(15)18)22(28)26-23(3,4)12-27/h5-10,13,27H,12H2,1-4H3,(H,26,28)
InChIKeyCLOHYEREWRHDLA-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.40
Rot. Bonds6

About 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide

7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 162763865) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID162763865
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC(C)(C)CO)oc12
InChIInChI=1S/C23H23FN2O4/c1-13(2)29-19-6-5-14(11-25)7-17(19)18-10-16(24)8-15-9-20(30-21(15)18)22(28)26-23(3,4)12-27/h5-10,13,27H,12H2,1-4H3,(H,26,28)
InChIKeyCLOHYEREWRHDLA-UHFFFAOYSA-N
XLogP4.40
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(5-cyano-2-propan-2-yloxyphenyl)-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
CID 162763888
3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24793805
Cis-7-(5-cyano-2-isopropoxy-phenyl)-5-fluoro-N-(3-hydroxycyclobutyl) benzofuran-2-carboxamide
CID 162763867
Cis or trans-5-fluoro-N-(4-hydroxy-1-methyl-cyclohexyl)-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 162763879
7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxynorbornan-1-yl)benzofuran-2-carboxamide
CID 162763883
5-fluoro-N-[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 170795204
N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2669460
N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16015138
N-(3-hydroxy-3-phenylpropyl)-N,3,5-trimethyl-1-benzofuran-2-carboxamide
CID 23723492
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
CID 24794052
(R or S)-N-(4,4-difluoro-3-piperidyl)-7-(2-propoxyphenyl)benzofuran-2-carboxamide
CID 162763821
Trans-N-(4-hydroxycyclohexyl)-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 162763836

Frequently Asked Questions

What is the IUPAC name of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide (CID 162763865) is 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide is CC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC(C)(C)CO)oc12.
What is the InChIKey of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is CLOHYEREWRHDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-13(2)29-19-6-5-14(11-25)7-17(19)18-10-16(24)8-15-9-20(30-21(15)18)22(28)26-23(3,4)12-27/h5-10,13,27H,12H2,1-4H3,(H,26,28).
What are the key properties of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide?
7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).