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

C22H22FNO4 — CID 162763840

IUPAC7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(F)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H22FNO4/c1-2-27-19-9-6-14(23)11-18(19)17-5-3-4-13-10-20(28-21(13)17)22(26)24-15-7-8-16(25)12-15/h3-6,9-11,15-16,25H,2,7-8,12H2,1H3,(H,24,26)/t15-,16+/m1/s1
InChIKeyHWNAIQVEGMACDL-CVEARBPZSA-N
MW383.42 g/mol
LogP4.28
Rot. Bonds5

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

7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763840) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763840
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(F)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C22H22FNO4/c1-2-27-19-9-6-14(23)11-18(19)17-5-3-4-13-10-20(28-21(13)17)22(26)24-15-7-8-16(25)12-15/h3-6,9-11,15-16,25H,2,7-8,12H2,1H3,(H,24,26)/t15-,16+/m1/s1
InChIKeyHWNAIQVEGMACDL-CVEARBPZSA-N
XLogP4.28
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Abexinostat
CID 11749858
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-5-benzyloxycarbonylamino-pentanoylamino}-hexanoic acid
CID 11249458
5-chloro-7-(5-cyano-2-propan-2-yloxyphenyl)-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
CID 162763888
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 162763894
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-butoxyphenyl)-1-benzofuran-2-carboxamide
CID 168269389
1-[(7-Fluoro-3-methyl-1-benzofuran-2-yl)carbonyl]-3-(methoxymethyl)pyrrolidine
CID 23723907
N-hydroxy-4-[2-(benzofuran-2-yl-carbonylamino)-ethoxy]-benzamide
CID 24971310
5-methyl-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238232
7-(2-chloro-5-cyanophenyl)-N-[(1S,3R)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
CID 168284425
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763840) is 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is CCOc1ccc(F)cc1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12.
What is the InChIKey of 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is HWNAIQVEGMACDL-CVEARBPZSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-2-27-19-9-6-14(23)11-18(19)17-5-3-4-13-10-20(28-21(13)17)22(26)24-15-7-8-16(25)12-15/h3-6,9-11,15-16,25H,2,7-8,12H2,1H3,(H,24,26)/t15-,16+/m1/s1.
What are the key properties of 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-5-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).