8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one

C16H12BrNO — CID 58396155

IUPAC8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one
SMILESO=C1CC(c2ccccc2)=Nc2cc(Br)ccc2C1
InChIInChI=1S/C16H12BrNO/c17-13-7-6-12-8-14(19)10-16(18-15(12)9-13)11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyPROVNBUSQFPGRM-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.09
Rot. Bonds1

About 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one

8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one (PubChem CID 58396155) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one
PubChem CID58396155
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one
SMILESO=C1CC(c2ccccc2)=Nc2cc(Br)ccc2C1
InChIInChI=1S/C16H12BrNO/c17-13-7-6-12-8-14(19)10-16(18-15(12)9-13)11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyPROVNBUSQFPGRM-UHFFFAOYSA-N
XLogP4.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one (CID 58396155) is 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one is O=C1CC(c2ccccc2)=Nc2cc(Br)ccc2C1.
What is the InChIKey of 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is PROVNBUSQFPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-13-7-6-12-8-14(19)10-16(18-15(12)9-13)11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one?
8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 314.18 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 58396155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).