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

C21H20ClN3O3 — CID 53155707

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4Cl)CC3=O)ccc21
InChIInChI=1S/C21H20ClN3O3/c1-13(26)24-9-8-14-10-16(6-7-19(14)24)25-12-15(11-20(25)27)21(28)23-18-5-3-2-4-17(18)22/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,28)
InChIKeyDMXYOYQCGPDVRG-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.24
Rot. Bonds3

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

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155707) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155707
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4Cl)CC3=O)ccc21
InChIInChI=1S/C21H20ClN3O3/c1-13(26)24-9-8-14-10-16(6-7-19(14)24)25-12-15(11-20(25)27)21(28)23-18-5-3-2-4-17(18)22/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,28)
InChIKeyDMXYOYQCGPDVRG-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098430
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155696
N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155757
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098606
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155707) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4Cl)CC3=O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMXYOYQCGPDVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(26)24-9-8-14-10-16(6-7-19(14)24)25-12-15(11-20(25)27)21(28)23-18-5-3-2-4-17(18)22/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,28).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.24, 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-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).