1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C23H24FN3O2 — CID 91956083

IUPAC1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N1Cc1ccccc1F
InChIInChI=1S/C23H24FN3O2/c24-19-8-3-1-7-18(19)16-27-21(10-11-22(27)28)23(29)25-13-5-14-26-15-12-17-6-2-4-9-20(17)26/h1-4,6-9,12,15,21H,5,10-11,13-14,16H2,(H,25,29)
InChIKeyXYGXCBTVCPWYGR-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.48
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91956083) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91956083
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N1Cc1ccccc1F
InChIInChI=1S/C23H24FN3O2/c24-19-8-3-1-7-18(19)16-27-21(10-11-22(27)28)23(29)25-13-5-14-26-15-12-17-6-2-4-9-20(17)26/h1-4,6-9,12,15,21H,5,10-11,13-14,16H2,(H,25,29)
InChIKeyXYGXCBTVCPWYGR-UHFFFAOYSA-N
XLogP3.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.48
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

N-[3-(4-chloroindazol-1-yl)propyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91956075
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 45194300
1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729062
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
N-(3-indol-1-ylpropyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 102553021
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-indol-1-ylpropyl)propanamide
CID 24554014

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 91956083) is 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCCn1ccc2ccccc21)C1CCC(=O)N1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XYGXCBTVCPWYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-8-3-1-7-18(19)16-27-21(10-11-22(27)28)23(29)25-13-5-14-26-15-12-17-6-2-4-9-20(17)26/h1-4,6-9,12,15,21H,5,10-11,13-14,16H2,(H,25,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91956083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).