2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide

C13H15ClN2O — CID 82087538

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCl
InChIInChI=1S/C13H15ClN2O/c1-16(13(17)8-14)7-6-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3
InChIKeyLWYQNPRCWGIDBB-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide (PubChem CID 82087538) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
PubChem CID82087538
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCl
InChIInChI=1S/C13H15ClN2O/c1-16(13(17)8-14)7-6-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3
InChIKeyLWYQNPRCWGIDBB-UHFFFAOYSA-N
XLogP2.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 11493048
2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
CID 113083988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide (CID 82087538) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide is CN(CCc1c[nH]c2ccccc12)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The InChIKey is LWYQNPRCWGIDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16(13(17)8-14)7-6-10-9-15-12-5-3-2-4-11(10)12/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide has a molecular weight of 250.73 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 82087538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).