1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one

C14H11Br2NO — CID 63466404

IUPAC1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2NO/c15-9-4-5-13(11(16)8-9)17-7-6-10-12(17)2-1-3-14(10)18/h4-8H,1-3H2
InChIKeyPHXGGRBBOHBUTF-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.52
Rot. Bonds1

About 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one

1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 63466404) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID63466404
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2NO/c15-9-4-5-13(11(16)8-9)17-7-6-10-12(17)2-1-3-14(10)18/h4-8H,1-3H2
InChIKeyPHXGGRBBOHBUTF-UHFFFAOYSA-N
XLogP4.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one (CID 63466404) is 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is PHXGGRBBOHBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO/c15-9-4-5-13(11(16)8-9)17-7-6-10-12(17)2-1-3-14(10)18/h4-8H,1-3H2.
What are the key properties of 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one?
1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 369.06 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 63466404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).