7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide

C23H21FN2O4 — CID 162763867

IUPAC7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC3CC(O)C3)oc12
InChIInChI=1S/C23H21FN2O4/c1-12(2)29-20-4-3-13(11-25)5-18(20)19-8-15(24)6-14-7-21(30-22(14)19)23(28)26-16-9-17(27)10-16/h3-8,12,16-17,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyZILOSBQKFHPGQV-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.15
Rot. Bonds5

About 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide

7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide (PubChem CID 162763867) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
PubChem CID162763867
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC3CC(O)C3)oc12
InChIInChI=1S/C23H21FN2O4/c1-12(2)29-20-4-3-13(11-25)5-18(20)19-8-15(24)6-14-7-21(30-22(14)19)23(28)26-16-9-17(27)10-16/h3-8,12,16-17,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyZILOSBQKFHPGQV-UHFFFAOYSA-N
XLogP4.15
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Abexinostat
CID 11749858
5-chloro-7-(5-cyano-2-propan-2-yloxyphenyl)-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
CID 162763888
N-hydroxy-4-[2-(benzofuran-2-yl-carbonylamino)-ethoxy]-benzamide
CID 24971310
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
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723393
3,5-dimethyl-N-[2-(oxan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24793805
3,5-dimethyl-N-(oxan-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 24817645
N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide
CID 1157517
(R and S)-N-(4,4-difluoro-3-piperidyl)-7-[2-(2,2,2-trifluoroethoxy)phenyl] benzofuran-2-carboxamide
CID 162763846
7-(5-cyano-2-isopropoxy-phenyl)-5-fluoro-N-(2-hydroxy-1,1-dimethyl-ethyl)benzofuran-2-carboxamide
CID 162763865

Frequently Asked Questions

What is the IUPAC name of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide (CID 162763867) is 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide is CC(C)Oc1ccc(C#N)cc1-c1cc(F)cc2cc(C(=O)NC3CC(O)C3)oc12.
What is the InChIKey of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZILOSBQKFHPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-12(2)29-20-4-3-13(11-25)5-18(20)19-8-15(24)6-14-7-21(30-22(14)19)23(28)26-16-9-17(27)10-16/h3-8,12,16-17,27H,9-10H2,1-2H3,(H,26,28).
What are the key properties of 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide?
7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-cyano-2-propan-2-yloxyphenyl)-5-fluoro-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).