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

C22H19ClN2O4 — CID 162763858

IUPAC5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cc(Cl)cc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H19ClN2O4/c1-28-19-5-2-12(11-24)6-17(19)18-9-14(23)7-13-8-20(29-21(13)18)22(27)25-15-3-4-16(26)10-15/h2,5-9,15-16,26H,3-4,10H2,1H3,(H,25,27)/t15-,16+/m1/s1
InChIKeyJZEIXIDJVDFUNF-CVEARBPZSA-N
MW410.86 g/mol
LogP4.28
Rot. Bonds4

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

5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763858) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763858
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C#N)cc1-c1cc(Cl)cc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H19ClN2O4/c1-28-19-5-2-12(11-24)6-17(19)18-9-14(23)7-13-8-20(29-21(13)18)22(27)25-15-3-4-16(26)10-15/h2,5-9,15-16,26H,3-4,10H2,1H3,(H,25,27)/t15-,16+/m1/s1
InChIKeyJZEIXIDJVDFUNF-CVEARBPZSA-N
XLogP4.28
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.28
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
7-(2-chloro-5-cyanophenyl)-N-[(1S,3R)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
CID 168284425
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-7-(5-chloro-2-methoxy-phenyl)-5-fluoro-N-[3-(hydroxymethyl)cyclobutyl]be nzofuran-2-carboxamide
CID 162763869
N-[2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16015181
7-chloro-N-(trans-4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723269
7-(5-cyano-2-fluoro-phenyl)-N-[(1R,3S)-3-hydroxycyclopentyl] benzofuran-2-carboxamide
CID 162763838
7-(2-ethoxy-5-fluoro-phenyl)-N-[(1R,3S)-3-hydroxycyclopentyl] benzofuran-2-carboxamide
CID 162763840
7-(2,3-difluoro-6-methoxy-phenyl)-N-[(1R,3S)-3-hydroxycyclopentyl] benzofuran-2-carboxamide
CID 162763880
7-(2-chloro-5-cyano-phenyl)-N-[(1R,3S)-3-hydroxycyclopentyl] benzofuran-2-carboxamide
CID 162763873
7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
CID 162763878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763858) is 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is COc1ccc(C#N)cc1-c1cc(Cl)cc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12.
What is the InChIKey of 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is JZEIXIDJVDFUNF-CVEARBPZSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-19-5-2-12(11-24)6-17(19)18-9-14(23)7-13-8-20(29-21(13)18)22(27)25-15-3-4-16(26)10-15/h2,5-9,15-16,26H,3-4,10H2,1H3,(H,25,27)/t15-,16+/m1/s1.
What are the key properties of 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(5-cyano-2-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).