1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C22H23ClN2O2 — CID 113185869

IUPAC1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C22H23ClN2O2/c1-15-11-17-6-2-3-8-20(17)25(15)22(27)18-13-21(26)24(14-18)10-9-16-5-4-7-19(23)12-16/h2-8,12,15,18H,9-11,13-14H2,1H3
InChIKeyOLBLOPURUKEDJC-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 113185869) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID113185869
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C22H23ClN2O2/c1-15-11-17-6-2-3-8-20(17)25(15)22(27)18-13-21(26)24(14-18)10-9-16-5-4-7-19(23)12-16/h2-8,12,15,18H,9-11,13-14H2,1H3
InChIKeyOLBLOPURUKEDJC-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 93250929
1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182487
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026
1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113185824
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 113185869) is 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is CC1Cc2ccccc2N1C(=O)C1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OLBLOPURUKEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-15-11-17-6-2-3-8-20(17)25(15)22(27)18-13-21(26)24(14-18)10-9-16-5-4-7-19(23)12-16/h2-8,12,15,18H,9-11,13-14H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 382.89 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).