2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide

C22H30ClN3O2 — CID 155541261

IUPAC2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
SMILESCc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyKLTNAMOTPCREBR-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.54
Rot. Bonds6

About 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide

2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide (PubChem CID 155541261) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
PubChem CID155541261
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide
SMILESCc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1
InChIInChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyKLTNAMOTPCREBR-UHFFFAOYSA-N
XLogP3.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide 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 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide (CID 155541261) is 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide is Cc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1.
What is the InChIKey of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
The InChIKey is KLTNAMOTPCREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c1-16-19(15-22(27)24-18-4-2-3-5-18)20-14-17(23)6-7-21(20)26(16)9-8-25-10-12-28-13-11-25/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27).
What are the key properties of 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide?
2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide has a molecular weight of 403.95 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 155541261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).