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

C21H17FN2O3 — CID 162763838

IUPAC7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(F)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1
InChIInChI=1S/C21H17FN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1
InChIKeyLSQRZAKPLQTKOO-CABCVRRESA-N
MW364.38 g/mol
LogP3.75
Rot. Bonds3

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

7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763838) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763838
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(F)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1
InChIInChI=1S/C21H17FN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1
InChIKeyLSQRZAKPLQTKOO-CABCVRRESA-N
XLogP3.75
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763838) is 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is N#Cc1ccc(F)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1.
What is the InChIKey of 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is LSQRZAKPLQTKOO-CABCVRRESA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1.
What are the key properties of 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-cyano-2-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).