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

C15H11Br2NO — CID 47444554

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H11Br2NO/c16-12-3-1-10(2-4-12)15(19)18-8-7-11-9-13(17)5-6-14(11)18/h1-6,9H,7-8H2
InChIKeyXXAINPMKKHZSMJ-UHFFFAOYSA-N
MW381.07 g/mol
LogP4.41
Rot. Bonds1

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

(5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone (PubChem CID 47444554) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone
PubChem CID47444554
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H11Br2NO/c16-12-3-1-10(2-4-12)15(19)18-8-7-11-9-13(17)5-6-14(11)18/h1-6,9H,7-8H2
InChIKeyXXAINPMKKHZSMJ-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.07
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone (CID 47444554) is (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone?
The InChIKey is XXAINPMKKHZSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c16-12-3-1-10(2-4-12)15(19)18-8-7-11-9-13(17)5-6-14(11)18/h1-6,9H,7-8H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone has a molecular weight of 381.07 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 47444554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).