3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one

C20H21N3O2 — CID 132969975

IUPAC3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O
InChIInChI=1S/C20H21N3O2/c1-22-12-11-17(20(22)25)21-16-8-6-15(7-9-16)19(24)23-13-10-14-4-2-3-5-18(14)23/h2-9,17,21H,10-13H2,1H3
InChIKeyFJHQXWBFOOIQTE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.53
Rot. Bonds3

About 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one

3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one (PubChem CID 132969975) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
PubChem CID132969975
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O
InChIInChI=1S/C20H21N3O2/c1-22-12-11-17(20(22)25)21-16-8-6-15(7-9-16)19(24)23-13-10-14-4-2-3-5-18(14)23/h2-9,17,21H,10-13H2,1H3
InChIKeyFJHQXWBFOOIQTE-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
CID 119761273
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310553
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one (CID 132969975) is 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2ccc(C(=O)N3CCc4ccccc43)cc2)C1=O.
What is the InChIKey of 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one?
The InChIKey is FJHQXWBFOOIQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-12-11-17(20(22)25)21-16-8-6-15(7-9-16)19(24)23-13-10-14-4-2-3-5-18(14)23/h2-9,17,21H,10-13H2,1H3.
What are the key properties of 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one?
3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 132969975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).