N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H22BrN3O2 — CID 50745085

IUPACN-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCN3CC(C(=O)Nc4cccc(Br)c4)CC3=O)c2c1
InChIInChI=1S/C22H22BrN3O2/c1-14-5-6-20-19(9-14)15(12-24-20)7-8-26-13-16(10-21(26)27)22(28)25-18-4-2-3-17(23)11-18/h2-6,9,11-12,16,24H,7-8,10,13H2,1H3,(H,25,28)
InChIKeyVPSWOQTVHXLVHJ-UHFFFAOYSA-N
MW440.34 g/mol
LogP4.27
Rot. Bonds5

About N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50745085) has the molecular formula C22H22BrN3O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50745085
Molecular FormulaC22H22BrN3O2
Molecular Weight440.34 g/mol
Exact Mass439.09
IUPAC NameN-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCN3CC(C(=O)Nc4cccc(Br)c4)CC3=O)c2c1
InChIInChI=1S/C22H22BrN3O2/c1-14-5-6-20-19(9-14)15(12-24-20)7-8-26-13-16(10-21(26)27)22(28)25-18-4-2-3-17(23)11-18/h2-6,9,11-12,16,24H,7-8,10,13H2,1H3,(H,25,28)
InChIKeyVPSWOQTVHXLVHJ-UHFFFAOYSA-N
XLogP4.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50745077
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204425
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 17204418
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132860
(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185915

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 50745085) is N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2[nH]cc(CCN3CC(C(=O)Nc4cccc(Br)c4)CC3=O)c2c1.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VPSWOQTVHXLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O2/c1-14-5-6-20-19(9-14)15(12-24-20)7-8-26-13-16(10-21(26)27)22(28)25-18-4-2-3-17(23)11-18/h2-6,9,11-12,16,24H,7-8,10,13H2,1H3,(H,25,28).
What are the key properties of N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50745085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).