7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

C21H19F2NO4 — CID 162763880

IUPAC7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(F)c(F)c1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C21H19F2NO4/c1-27-16-8-7-15(22)19(23)18(16)14-4-2-3-11-9-17(28-20(11)14)21(26)24-12-5-6-13(25)10-12/h2-4,7-9,12-13,25H,5-6,10H2,1H3,(H,24,26)/t12-,13+/m1/s1
InChIKeyUYGQHNCYAYFEJL-OLZOCXBDSA-N
MW387.38 g/mol
LogP4.03
Rot. Bonds4

About 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763880) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763880
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(F)c(F)c1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12
InChIInChI=1S/C21H19F2NO4/c1-27-16-8-7-15(22)19(23)18(16)14-4-2-3-11-9-17(28-20(11)14)21(26)24-12-5-6-13(25)10-12/h2-4,7-9,12-13,25H,5-6,10H2,1H3,(H,24,26)/t12-,13+/m1/s1
InChIKeyUYGQHNCYAYFEJL-OLZOCXBDSA-N
XLogP4.03
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide with MolForge

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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
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
N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 2469681
N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2536679

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763880) is 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is COc1ccc(F)c(F)c1-c1cccc2cc(C(=O)N[C@@H]3CC[C@H](O)C3)oc12.
What is the InChIKey of 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is UYGQHNCYAYFEJL-OLZOCXBDSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-27-16-8-7-15(22)19(23)18(16)14-4-2-3-11-9-17(28-20(11)14)21(26)24-12-5-6-13(25)10-12/h2-4,7-9,12-13,25H,5-6,10H2,1H3,(H,24,26)/t12-,13+/m1/s1.
What are the key properties of 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluoro-6-methoxyphenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).