1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone

C16H13BrFNO — CID 103498862

IUPAC1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCc2ccc(F)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H13BrFNO/c17-13-3-1-2-12(8-13)16(20)10-19-7-6-11-4-5-14(18)9-15(11)19/h1-5,8-9H,6-7,10H2
InChIKeySOZCDVJSJUXDSL-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.83
Rot. Bonds3

About 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone

1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 103498862) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID103498862
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCc2ccc(F)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H13BrFNO/c17-13-3-1-2-12(8-13)16(20)10-19-7-6-11-4-5-14(18)9-15(11)19/h1-5,8-9H,6-7,10H2
InChIKeySOZCDVJSJUXDSL-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 103498862) is 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCc2ccc(F)cc21)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is SOZCDVJSJUXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-13-3-1-2-12(8-13)16(20)10-19-7-6-11-4-5-14(18)9-15(11)19/h1-5,8-9H,6-7,10H2.
What are the key properties of 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 334.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 103498862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).