8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one

C16H11Br2NO — CID 58396144

IUPAC8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one
SMILESO=C1CC(c2cccc(Br)c2)=Nc2cc(Br)ccc2C1
InChIInChI=1S/C16H11Br2NO/c17-12-3-1-2-10(6-12)16-9-14(20)7-11-4-5-13(18)8-15(11)19-16/h1-6,8H,7,9H2
InChIKeyOUXQTGLQJYCARA-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.85
Rot. Bonds1

About 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one

8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one (PubChem CID 58396144) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one
PubChem CID58396144
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one
SMILESO=C1CC(c2cccc(Br)c2)=Nc2cc(Br)ccc2C1
InChIInChI=1S/C16H11Br2NO/c17-12-3-1-2-10(6-12)16-9-14(20)7-11-4-5-13(18)8-15(11)19-16/h1-6,8H,7,9H2
InChIKeyOUXQTGLQJYCARA-UHFFFAOYSA-N
XLogP4.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one (CID 58396144) is 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one is O=C1CC(c2cccc(Br)c2)=Nc2cc(Br)ccc2C1.
What is the InChIKey of 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is OUXQTGLQJYCARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c17-12-3-1-2-10(6-12)16-9-14(20)7-11-4-5-13(18)8-15(11)19-16/h1-6,8H,7,9H2.
What are the key properties of 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one?
8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 393.08 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 58396144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).