N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C22H22ClN3O2 — CID 66831856

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-2-5-17(6-3-14)26-11-9-18(22(26)28)21(27)24-10-8-15-13-25-20-7-4-16(23)12-19(15)20/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27)
InChIKeyWTERGZZKEHWSGE-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 66831856) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID66831856
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-2-5-17(6-3-14)26-11-9-18(22(26)28)21(27)24-10-8-15-13-25-20-7-4-16(23)12-19(15)20/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27)
InChIKeyWTERGZZKEHWSGE-UHFFFAOYSA-N
XLogP3.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 66831953
1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 66832086
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 66831801
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 66831944
3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 70209880
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9352257
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081927
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 66831856) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WTERGZZKEHWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-2-5-17(6-3-14)26-11-9-18(22(26)28)21(27)24-10-8-15-13-25-20-7-4-16(23)12-19(15)20/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66831856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).