2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one

C12H15FN2O — CID 103796148

IUPAC2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-2-10(14)12(16)15-6-5-8-3-4-9(13)7-11(8)15/h3-4,7,10H,2,5-6,14H2,1H3
InChIKeyLWEFIONJJAVDRU-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 103796148) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID103796148
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-2-10(14)12(16)15-6-5-8-3-4-9(13)7-11(8)15/h3-4,7,10H,2,5-6,14H2,1H3
InChIKeyLWEFIONJJAVDRU-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one 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

(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107037118
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one (CID 103796148) is 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one is CCC(N)C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is LWEFIONJJAVDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-10(14)12(16)15-6-5-8-3-4-9(13)7-11(8)15/h3-4,7,10H,2,5-6,14H2,1H3.
What are the key properties of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one?
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 222.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 103796148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).