1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C21H20BrN3O3 — CID 53155715

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4cccc(Br)c4)CC3=O)ccc21
InChIInChI=1S/C21H20BrN3O3/c1-13(26)24-8-7-14-9-18(5-6-19(14)24)25-12-15(10-20(25)27)21(28)23-17-4-2-3-16(22)11-17/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,28)
InChIKeyIKWZBSVWZDMALL-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.35
Rot. Bonds3

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155715) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155715
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4cccc(Br)c4)CC3=O)ccc21
InChIInChI=1S/C21H20BrN3O3/c1-13(26)24-8-7-14-9-18(5-6-19(14)24)25-12-15(10-20(25)27)21(28)23-17-4-2-3-16(22)11-17/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,28)
InChIKeyIKWZBSVWZDMALL-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155715) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)Nc4cccc(Br)c4)CC3=O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IKWZBSVWZDMALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c1-13(26)24-8-7-14-9-18(5-6-19(14)24)25-12-15(10-20(25)27)21(28)23-17-4-2-3-16(22)11-17/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,23,28).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 442.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).