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

C24H23ClN4O2 — CID 66831944

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2cc(N3CCC(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)C3=O)ccc21
InChIInChI=1S/C24H23ClN4O2/c1-28-10-7-15-12-18(3-5-22(15)28)29-11-8-19(24(29)31)23(30)26-9-6-16-14-27-21-4-2-17(25)13-20(16)21/h2-5,7,10,12-14,19,27H,6,8-9,11H2,1H3,(H,26,30)
InChIKeyJPOIATMYRBPUAE-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.02
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 66831944) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID66831944
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2cc(N3CCC(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)C3=O)ccc21
InChIInChI=1S/C24H23ClN4O2/c1-28-10-7-15-12-18(3-5-22(15)28)29-11-8-19(24(29)31)23(30)26-9-6-16-14-27-21-4-2-17(25)13-20(16)21/h2-5,7,10,12-14,19,27H,6,8-9,11H2,1H3,(H,26,30)
InChIKeyJPOIATMYRBPUAE-UHFFFAOYSA-N
XLogP4.02
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide (CID 66831944) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide is Cn1ccc2cc(N3CCC(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)C3=O)ccc21.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is JPOIATMYRBPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-28-10-7-15-12-18(3-5-22(15)28)29-11-8-19(24(29)31)23(30)26-9-6-16-14-27-21-4-2-17(25)13-20(16)21/h2-5,7,10,12-14,19,27H,6,8-9,11H2,1H3,(H,26,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66831944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).