1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone

C16H13Br2NO — CID 47444503

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H13Br2NO/c17-13-3-1-11(2-4-13)9-16(20)19-8-7-12-10-14(18)5-6-15(12)19/h1-6,10H,7-9H2
InChIKeyBJKILDZJPUFCQW-UHFFFAOYSA-N
MW395.09 g/mol
LogP4.34
Rot. Bonds2

About 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone

1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone (PubChem CID 47444503) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone
PubChem CID47444503
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H13Br2NO/c17-13-3-1-11(2-4-13)9-16(20)19-8-7-12-10-14(18)5-6-15(12)19/h1-6,10H,7-9H2
InChIKeyBJKILDZJPUFCQW-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone (CID 47444503) is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone?
The InChIKey is BJKILDZJPUFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c17-13-3-1-11(2-4-13)9-16(20)19-8-7-12-10-14(18)5-6-15(12)19/h1-6,10H,7-9H2.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone?
1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-bromophenyl)ethanone has a molecular weight of 395.09 g/mol, XLogP of 4.34, 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-(4-bromophenyl)ethanone is sourced from PubChem (CID 47444503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).