1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone

C16H14BrNO — CID 66824105

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H14BrNO/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyYIOGOBYCEZTHTF-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.58
Rot. Bonds2

About 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone

1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone (PubChem CID 66824105) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone
PubChem CID66824105
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H14BrNO/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyYIOGOBYCEZTHTF-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone 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 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone (CID 66824105) is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone?
The InChIKey is YIOGOBYCEZTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone?
1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone has a molecular weight of 316.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-phenylethanone is sourced from PubChem (CID 66824105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).