N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide

C22H24ClN3O — CID 16752691

IUPACN-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27)
InChIKeyMYJJVFCPCDPOSM-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.39
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide

N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide (PubChem CID 16752691) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide
PubChem CID16752691
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27)
InChIKeyMYJJVFCPCDPOSM-UHFFFAOYSA-N
XLogP4.39
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide (CID 16752691) is N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide is CCc1c(C(=O)NC2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The InChIKey is MYJJVFCPCDPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 16752691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).