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

C17H17FN2O — CID 103495274

IUPAC2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-17(19,13-5-3-2-4-6-13)16(21)20-10-9-12-7-8-14(18)11-15(12)20/h2-8,11H,9-10,19H2,1H3
InChIKeyFCNHATOWHDEYOD-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.59
Rot. Bonds2

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

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one (PubChem CID 103495274) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
PubChem CID103495274
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-17(19,13-5-3-2-4-6-13)16(21)20-10-9-12-7-8-14(18)11-15(12)20/h2-8,11H,9-10,19H2,1H3
InChIKeyFCNHATOWHDEYOD-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-2-methylbutanethioamide
CID 103495616
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one (CID 103495274) is 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one is CC(N)(C(=O)N1CCc2ccc(F)cc21)c1ccccc1.
What is the InChIKey of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The InChIKey is FCNHATOWHDEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-17(19,13-5-3-2-4-6-13)16(21)20-10-9-12-7-8-14(18)11-15(12)20/h2-8,11H,9-10,19H2,1H3.
What are the key properties of 2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-1-one has a molecular weight of 284.33 g/mol, XLogP of 2.59, 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)-2-phenylpropan-1-one is sourced from PubChem (CID 103495274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).