1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C27H24FNO4 — CID 11683747

IUPAC1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCC(C)(Oc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C27H24FNO4/c1-26(2,32-21-13-9-19(10-14-21)18-7-11-20(28)12-8-18)25(31)29-16-15-27(17-29)23-6-4-3-5-22(23)24(30)33-27/h3-14H,15-17H2,1-2H3
InChIKeyWQFSFVIUMVGPLM-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.95
Rot. Bonds4

About 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 11683747) has the molecular formula C27H24FNO4 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID11683747
Molecular FormulaC27H24FNO4
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCC(C)(Oc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C27H24FNO4/c1-26(2,32-21-13-9-19(10-14-21)18-7-11-20(28)12-8-18)25(31)29-16-15-27(17-29)23-6-4-3-5-22(23)24(30)33-27/h3-14H,15-17H2,1-2H3
InChIKeyWQFSFVIUMVGPLM-UHFFFAOYSA-N
XLogP4.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]piperidine-3-carboxylate
CID 4661831
(2S)-1-[3-[[4-(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)phenoxy]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 89555435
1'-[2-(2-fluorophenoxy)acetyl]-3H-spiro[2-benzofuran-1,4'-piperidine]-3-one
CID 72719176
methyl 2-[5-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetate
CID 10019439
(3R)-1'-[2-methyl-2-[4-(trifluoromethyl)phenoxy]propanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11524573
(3R)-1'-[2-(4-chloro-3-fluorophenoxy)-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11574959
(3R)-1'-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11676820
1'-{2-[(4'-Fluorobiphenyl-4-yl)oxy]-2-methylpropanoyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidine]
CID 11690538
Methyl 2-[(4-{2-[ethyl(2-fluorobenzyl)amino]-2-oxoethoxy}phenoxy)methyl]benzoate
CID 68869777
2-[4-(4-fluorophenyl)phenoxy]-2-methyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]propan-1-one
CID 69177572
(3R)-1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 69177662
2-[1-[2-Methyl-2-[4-(trifluoromethyl)phenoxy]propanoyl]pyrrolidin-3-yl]benzoic acid
CID 143161501

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 11683747) is 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is CC(C)(Oc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCC2(C1)OC(=O)c1ccccc12.
What is the InChIKey of 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is WQFSFVIUMVGPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO4/c1-26(2,32-21-13-9-19(10-14-21)18-7-11-20(28)12-8-18)25(31)29-16-15-27(17-29)23-6-4-3-5-22(23)24(30)33-27/h3-14H,15-17H2,1-2H3.
What are the key properties of 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 445.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[4-(4-fluorophenyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 11683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).