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

C24H22N2O4 — CID 162763859

IUPAC7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cccc2cc(C(=O)NC34CCC(O)(CC3)C4)oc12
InChIInChI=1S/C24H22N2O4/c1-29-19-6-5-15(13-25)11-18(19)17-4-2-3-16-12-20(30-21(16)17)22(27)26-23-7-9-24(28,14-23)10-8-23/h2-6,11-12,28H,7-10,14H2,1H3,(H,26,27)
InChIKeyYTBFVLNYGBGBBM-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.16
Rot. Bonds4

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

7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide (PubChem CID 162763859) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
PubChem CID162763859
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cccc2cc(C(=O)NC34CCC(O)(CC3)C4)oc12
InChIInChI=1S/C24H22N2O4/c1-29-19-6-5-15(13-25)11-18(19)17-4-2-3-16-12-20(30-21(16)17)22(27)26-23-7-9-24(28,14-23)10-8-23/h2-6,11-12,28H,7-10,14H2,1H3,(H,26,27)
InChIKeyYTBFVLNYGBGBBM-UHFFFAOYSA-N
XLogP4.16
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide (CID 162763859) is 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide is COc1ccc(C#N)cc1-c1cccc2cc(C(=O)NC34CCC(O)(CC3)C4)oc12.
What is the InChIKey of 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
The InChIKey is YTBFVLNYGBGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-19-6-5-15(13-25)11-18(19)17-4-2-3-16-12-20(30-21(16)17)22(27)26-23-7-9-24(28,14-23)10-8-23/h2-6,11-12,28H,7-10,14H2,1H3,(H,26,27).
What are the key properties of 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide?
7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-cyano-2-methoxyphenyl)-N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).