2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H16BrNO2 — CID 3244853

IUPAC2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3
InChIKeyNNYFLTQFKZCZGJ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 3244853) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID3244853
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3
InChIKeyNNYFLTQFKZCZGJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 3244853) is 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is NNYFLTQFKZCZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 346.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 3244853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).