N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide

C21H23N3O2 — CID 7543396

IUPACN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc43)CC2=O)cc1C
InChIInChI=1S/C21H23N3O2/c1-14-7-8-18(11-15(14)2)24-13-17(12-20(24)25)22-21(26)23-10-9-16-5-3-4-6-19(16)23/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyAIOZNTRVGQIWPJ-QGZVFWFLSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds2

About N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 7543396) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID7543396
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc43)CC2=O)cc1C
InChIInChI=1S/C21H23N3O2/c1-14-7-8-18(11-15(14)2)24-13-17(12-20(24)25)22-21(26)23-10-9-16-5-3-4-6-19(16)23/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyAIOZNTRVGQIWPJ-QGZVFWFLSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 16812475
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7215206
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7543403
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7244312
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215552
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7543031
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-formylpiperazine-1-carboxamide
CID 7543749
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16808956

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide (CID 7543396) is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide is Cc1ccc(N2C[C@H](NC(=O)N3CCc4ccccc43)CC2=O)cc1C.
What is the InChIKey of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is AIOZNTRVGQIWPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-7-8-18(11-15(14)2)24-13-17(12-20(24)25)22-21(26)23-10-9-16-5-3-4-6-19(16)23/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 7543396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).