7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

C22H20N2O4 — CID 162763878

IUPAC7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H20N2O4/c1-27-19-8-5-13(12-23)9-18(19)17-4-2-3-14-10-20(28-21(14)17)22(26)24-15-6-7-16(25)11-15/h2-5,8-10,15-16,25H,6-7,11H2,1H3,(H,24,26)/t15-,16+/m1/s1
InChIKeyLHRUZJHRCLNOPS-CVEARBPZSA-N
MW376.41 g/mol
LogP3.62
Rot. Bonds4

About 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763878) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763878
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H20N2O4/c1-27-19-8-5-13(12-23)9-18(19)17-4-2-3-14-10-20(28-21(14)17)22(26)24-15-6-7-16(25)11-15/h2-5,8-10,15-16,25H,6-7,11H2,1H3,(H,24,26)/t15-,16+/m1/s1
InChIKeyLHRUZJHRCLNOPS-CVEARBPZSA-N
XLogP3.62
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763878) is 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is COc1ccc(C#N)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12.
What is the InChIKey of 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is LHRUZJHRCLNOPS-CVEARBPZSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-19-8-5-13(12-23)9-18(19)17-4-2-3-14-10-20(28-21(14)17)22(26)24-15-6-7-16(25)11-15/h2-5,8-10,15-16,25H,6-7,11H2,1H3,(H,24,26)/t15-,16+/m1/s1.
What are the key properties of 7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.62, 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-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).