2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone

C12H13FN2O — CID 82493978

IUPAC2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESCCNCC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-2-14-7-12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,14-15H,2,7H2,1H3
InChIKeyHMGWWDBDMRGNCQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.10
Rot. Bonds4

About 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone

2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone (PubChem CID 82493978) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
PubChem CID82493978
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESCCNCC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-2-14-7-12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,14-15H,2,7H2,1H3
InChIKeyHMGWWDBDMRGNCQ-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone 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

1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone
CID 82498068
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone (CID 82493978) is 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone is CCNCC(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is HMGWWDBDMRGNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-14-7-12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,14-15H,2,7H2,1H3.
What are the key properties of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone?
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 220.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82493978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).