N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C24H26ClN3O2 — CID 66831953

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C24H26ClN3O2/c1-15(2)16-3-6-19(7-4-16)28-12-10-20(24(28)30)23(29)26-11-9-17-14-27-22-8-5-18(25)13-21(17)22/h3-8,13-15,20,27H,9-12H2,1-2H3,(H,26,29)
InChIKeyPBVDUQSMJORJTP-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 66831953) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID66831953
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C24H26ClN3O2/c1-15(2)16-3-6-19(7-4-16)28-12-10-20(24(28)30)23(29)26-11-9-17-14-27-22-8-5-18(25)13-21(17)22/h3-8,13-15,20,27H,9-12H2,1-2H3,(H,26,29)
InChIKeyPBVDUQSMJORJTP-UHFFFAOYSA-N
XLogP4.66
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 66831953) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(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]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PBVDUQSMJORJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-15(2)16-3-6-19(7-4-16)28-12-10-20(24(28)30)23(29)26-11-9-17-14-27-22-8-5-18(25)13-21(17)22/h3-8,13-15,20,27H,9-12H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 4.66, 6 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]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 66831953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).