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

C17H16FNOS — CID 4608107

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccccc1F)N1CCc2ccccc21
InChIInChI=1S/C17H16FNOS/c18-15-7-3-1-6-14(15)11-21-12-17(20)19-10-9-13-5-2-4-8-16(13)19/h1-8H,9-12H2
InChIKeyLDBBPZWTOBHXRE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.65
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone (PubChem CID 4608107) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone
PubChem CID4608107
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccccc1F)N1CCc2ccccc21
InChIInChI=1S/C17H16FNOS/c18-15-7-3-1-6-14(15)11-21-12-17(20)19-10-9-13-5-2-4-8-16(13)19/h1-8H,9-12H2
InChIKeyLDBBPZWTOBHXRE-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone (CID 4608107) is 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone is O=C(CSCc1ccccc1F)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone?
The InChIKey is LDBBPZWTOBHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-15-7-3-1-6-14(15)11-21-12-17(20)19-10-9-13-5-2-4-8-16(13)19/h1-8H,9-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(2-fluorophenyl)methylsulfanyl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 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-fluorophenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 4608107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).