1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone

C18H19FN2O — CID 109000166

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
SMILESO=C(CNCCc1ccccc1F)N1CCc2ccccc21
InChIInChI=1S/C18H19FN2O/c19-16-7-3-1-5-14(16)9-11-20-13-18(22)21-12-10-15-6-2-4-8-17(15)21/h1-8,20H,9-13H2
InChIKeyIFEVNPSHQHZUEF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.55
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone (PubChem CID 109000166) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
PubChem CID109000166
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
SMILESO=C(CNCCc1ccccc1F)N1CCc2ccccc21
InChIInChI=1S/C18H19FN2O/c19-16-7-3-1-5-14(16)9-11-20-13-18(22)21-12-10-15-6-2-4-8-17(15)21/h1-8,20H,9-13H2
InChIKeyIFEVNPSHQHZUEF-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 108977368
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone (CID 109000166) is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone is O=C(CNCCc1ccccc1F)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The InChIKey is IFEVNPSHQHZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-7-3-1-5-14(16)9-11-20-13-18(22)21-12-10-15-6-2-4-8-17(15)21/h1-8,20H,9-13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone has a molecular weight of 298.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone is sourced from PubChem (CID 109000166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).