2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C15H19ClN2O2 — CID 111543131

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O2/c1-15(2,20)9-18(3)14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-8,17,20H,6,9H2,1-3H3
InChIKeyBBEBEXDIHMQEQB-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.59
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 111543131) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID111543131
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O2/c1-15(2,20)9-18(3)14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-8,17,20H,6,9H2,1-3H3
InChIKeyBBEBEXDIHMQEQB-UHFFFAOYSA-N
XLogP2.59
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-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

2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570
3-(6-chloro-1H-indol-3-yl)-2-iodopropanoic acid
CID 121353891
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
(2S)-2-(tert-butylamino)-1-(6-chloro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 177273359
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 111543131) is 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CN(CC(C)(C)O)C(=O)Cc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is BBEBEXDIHMQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2,20)9-18(3)14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-8,17,20H,6,9H2,1-3H3.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 294.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 111543131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).