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

C27H25FN2O2 — CID 134795624

IUPAC1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C27H25FN2O2/c28-22-12-10-21(11-13-22)18-25(31)29-17-15-27(19-29)23-8-4-5-9-24(23)30(26(27)32)16-14-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKeyPJTGXYIDSFEKLC-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.13
Rot. Bonds5

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

1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134795624) has the molecular formula C27H25FN2O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134795624
Molecular FormulaC27H25FN2O2
Molecular Weight428.51 g/mol
Exact Mass428.19
IUPAC Name1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C27H25FN2O2/c28-22-12-10-21(11-13-22)18-25(31)29-17-15-27(19-29)23-8-4-5-9-24(23)30(26(27)32)16-14-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKeyPJTGXYIDSFEKLC-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96575863
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
1'-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375647
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
CID 7280973
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 134795624) is 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one is O=C(Cc1ccc(F)cc1)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12.
What is the InChIKey of 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PJTGXYIDSFEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O2/c28-22-12-10-21(11-13-22)18-25(31)29-17-15-27(19-29)23-8-4-5-9-24(23)30(26(27)32)16-14-20-6-2-1-3-7-20/h1-13H,14-19H2.
What are the key properties of 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 428.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).