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

C22H23N3O3 — CID 53155643

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4C)CC3=O)ccc21
InChIInChI=1S/C22H23N3O3/c1-14-5-3-4-6-19(14)23-22(28)17-12-21(27)25(13-17)18-7-8-20-16(11-18)9-10-24(20)15(2)26/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,28)
InChIKeyJDMHJYDNJOXHJY-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.90
Rot. Bonds3

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

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155643) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155643
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4C)CC3=O)ccc21
InChIInChI=1S/C22H23N3O3/c1-14-5-3-4-6-19(14)23-22(28)17-12-21(27)25(13-17)18-7-8-20-16(11-18)9-10-24(20)15(2)26/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,28)
InChIKeyJDMHJYDNJOXHJY-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155707
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
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155696
(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-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717
(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
methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 53155711
(3R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39952156

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155643) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)Nc4ccccc4C)CC3=O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDMHJYDNJOXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-5-3-4-6-19(14)23-22(28)17-12-21(27)25(13-17)18-7-8-20-16(11-18)9-10-24(20)15(2)26/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,23,28).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.90, 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-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).