1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H23FN2O3 — CID 166617276

IUPAC1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCOCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c1-2-28-14-11-19(26)25-13-12-22(20(25)15-7-9-16(23)10-8-15)17-5-3-4-6-18(17)24-21(22)27/h3-10,20H,2,11-14H2,1H3,(H,24,27)
InChIKeyHYVZMKDDDVHDJX-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.42
Rot. Bonds5

About 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166617276) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166617276
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCOCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c1-2-28-14-11-19(26)25-13-12-22(20(25)15-7-9-16(23)10-8-15)17-5-3-4-6-18(17)24-21(22)27/h3-10,20H,2,11-14H2,1H3,(H,24,27)
InChIKeyHYVZMKDDDVHDJX-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2'S,3R)-2'-(4-fluorophenyl)-1'-[3-(1,2,4-triazol-1-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622291
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
(2'S,3R)-2'-(4-fluorophenyl)-1'-(3-methyloxetane-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614215
(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612719
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620503
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621734
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
CID 166612735
(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612568

Frequently Asked Questions

What is the IUPAC name of 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166617276) is 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CCOCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1ccc(F)cc1.
What is the InChIKey of 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HYVZMKDDDVHDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-2-28-14-11-19(26)25-13-12-22(20(25)15-7-9-16(23)10-8-15)17-5-3-4-6-18(17)24-21(22)27/h3-10,20H,2,11-14H2,1H3,(H,24,27).
What are the key properties of 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 382.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166617276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).