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1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H22FN3O2 — CID 17310667

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2c1
InChIInChI=1S/C22H22FN3O2/c1-14-2-7-20-19(10-14)15(12-25-20)8-9-24-22(28)16-11-21(27)26(13-16)18-5-3-17(23)4-6-18/h2-7,10,12,16,25H,8-9,11,13H2,1H3,(H,24,28)
InChIKeyOSXBKCOSDJJZMU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17310667) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17310667
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2c1
InChIInChI=1S/C22H22FN3O2/c1-14-2-7-20-19(10-14)15(12-25-20)8-9-24-22(28)16-11-21(27)26(13-16)18-5-3-17(23)4-6-18/h2-7,10,12,16,25H,8-9,11,13H2,1H3,(H,24,28)
InChIKeyOSXBKCOSDJJZMU-UHFFFAOYSA-N
XLogP3.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 17310667) is 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OSXBKCOSDJJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-2-7-20-19(10-14)15(12-25-20)8-9-24-22(28)16-11-21(27)26(13-16)18-5-3-17(23)4-6-18/h2-7,10,12,16,25H,8-9,11,13H2,1H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17310667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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