N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C20H16FN3O3 — CID 18573377

IUPACN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CC(=O)N(c2cccc(F)c2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16FN3O3/c21-12-4-3-5-14(8-12)24-11-13(9-18(24)25)23-20(27)19(26)16-10-22-17-7-2-1-6-15(16)17/h1-8,10,13,22H,9,11H2,(H,23,27)
InChIKeyQAWJHDAEEUANID-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 18573377) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID18573377
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CC(=O)N(c2cccc(F)c2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16FN3O3/c21-12-4-3-5-14(8-12)24-11-13(9-18(24)25)23-20(27)19(26)16-10-22-17-7-2-1-6-15(16)17/h1-8,10,13,22H,9,11H2,(H,23,27)
InChIKeyQAWJHDAEEUANID-UHFFFAOYSA-N
XLogP2.41
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 18573377) is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NC1CC(=O)N(c2cccc(F)c2)C1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QAWJHDAEEUANID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-12-4-3-5-14(8-12)24-11-13(9-18(24)25)23-20(27)19(26)16-10-22-17-7-2-1-6-15(16)17/h1-8,10,13,22H,9,11H2,(H,23,27).
What are the key properties of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 365.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 18573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).