7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide

C24H20F2N2O4 — CID 162763883

IUPAC7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(OC(F)F)c(-c2cccc3cc(C(=O)NC45CCC(O)(CC4)C5)oc23)c1
InChIInChI=1S/C24H20F2N2O4/c25-22(26)32-18-5-4-14(12-27)10-17(18)16-3-1-2-15-11-19(31-20(15)16)21(29)28-23-6-8-24(30,13-23)9-7-23/h1-5,10-11,22,30H,6-9,13H2,(H,28,29)
InChIKeyRZMSLASHRVTQSQ-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.75
Rot. Bonds5

About 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide

7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide (PubChem CID 162763883) has the molecular formula C24H20F2N2O4 and a molecular weight of 438.43 g/mol. Its IUPAC name is 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
PubChem CID162763883
Molecular FormulaC24H20F2N2O4
Molecular Weight438.43 g/mol
Exact Mass438.14
IUPAC Name7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(OC(F)F)c(-c2cccc3cc(C(=O)NC45CCC(O)(CC4)C5)oc23)c1
InChIInChI=1S/C24H20F2N2O4/c25-22(26)32-18-5-4-14(12-27)10-17(18)16-3-1-2-15-11-19(31-20(15)16)21(29)28-23-6-8-24(30,13-23)9-7-23/h1-5,10-11,22,30H,6-9,13H2,(H,28,29)
InChIKeyRZMSLASHRVTQSQ-UHFFFAOYSA-N
XLogP4.75
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

7-(5-cyano-2-isopropoxy-phenyl)-5-fluoro-N-(2-hydroxy-1,1-dimethyl-ethyl)benzofuran-2-carboxamide
CID 162763865
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
5-fluoro-N-[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 170795204
Trans-N-(4-hydroxycyclohexyl)-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 162763836
7-(5-cyano-2-fluoro-phenyl)-N-[(1R,3S)-3-hydroxycyclopentyl] benzofuran-2-carboxamide
CID 162763838
N-(2-fluoro-4-hydroxy-cyclohexyl)-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 162763842
7-(5-cyano-2-methoxy-phenyl)-N-(4-hydroxynorbornan-1-yl)benzofuran-2-carboxamide
CID 162763859
7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
CID 162763878
N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(2-hydroxypropan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 126674991
N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(4-methoxy-3-methylphenyl)-1-benzofuran-2-carboxamide
CID 145267229
N-(4-hydroxy-3-methylbut-1-en-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763893

Frequently Asked Questions

What is the IUPAC name of 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide (CID 162763883) is 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide is N#Cc1ccc(OC(F)F)c(-c2cccc3cc(C(=O)NC45CCC(O)(CC4)C5)oc23)c1.
What is the InChIKey of 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The InChIKey is RZMSLASHRVTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4/c25-22(26)32-18-5-4-14(12-27)10-17(18)16-3-1-2-15-11-19(31-20(15)16)21(29)28-23-6-8-24(30,13-23)9-7-23/h1-5,10-11,22,30H,6-9,13H2,(H,28,29).
What are the key properties of 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-cyano-2-(difluoromethoxy)phenyl]-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).