N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide

C13H15FN2O — CID 116619982

IUPACN-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c1-3-15(2)13(17)9-16-7-6-10-4-5-11(14)8-12(10)16/h4-8H,3,9H2,1-2H3
InChIKeyHYXYKRUTPYWBTJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.26
Rot. Bonds3

About N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide

N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide (PubChem CID 116619982) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
PubChem CID116619982
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C13H15FN2O/c1-3-15(2)13(17)9-16-7-6-10-4-5-11(14)8-12(10)16/h4-8H,3,9H2,1-2H3
InChIKeyHYXYKRUTPYWBTJ-UHFFFAOYSA-N
XLogP2.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(6-fluoroindol-1-yl)-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-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
CID 114015633
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949
3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119227900
6-fluoro-1-nonylindole
CID 116619867
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide (CID 116619982) is N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide is CCN(C)C(=O)Cn1ccc2ccc(F)cc21.
What is the InChIKey of N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide?
The InChIKey is HYXYKRUTPYWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-15(2)13(17)9-16-7-6-10-4-5-11(14)8-12(10)16/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide?
N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 116619982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).