8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one

C16H11ClFNO — CID 12948279

IUPAC8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one
SMILESO=C1CCN=C(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C16H11ClFNO/c17-10-5-6-11-13(9-10)16(19-8-7-15(11)20)12-3-1-2-4-14(12)18/h1-6,9H,7-8H2
InChIKeyMXBMBCKVMVLOBI-UHFFFAOYSA-N
MW287.72 g/mol
LogP3.90
Rot. Bonds1

About 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one

8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one (PubChem CID 12948279) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one.

Molecular Properties

Compound Name8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one
PubChem CID12948279
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one
SMILESO=C1CCN=C(c2ccccc2F)c2cc(Cl)ccc21
InChIInChI=1S/C16H11ClFNO/c17-10-5-6-11-13(9-10)16(19-8-7-15(11)20)12-3-1-2-4-14(12)18/h1-6,9H,7-8H2
InChIKeyMXBMBCKVMVLOBI-UHFFFAOYSA-N
XLogP3.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one?
The IUPAC name of 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one (CID 12948279) is 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one.
What is the SMILES notation for 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one?
The canonical SMILES for 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one is O=C1CCN=C(c2ccccc2F)c2cc(Cl)ccc21.
What is the InChIKey of 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one?
The InChIKey is MXBMBCKVMVLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-10-5-6-11-13(9-10)16(19-8-7-15(11)20)12-3-1-2-4-14(12)18/h1-6,9H,7-8H2.
What are the key properties of 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one?
8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one has a molecular weight of 287.72 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-fluorophenyl)-3,4-dihydro-2-benzazepin-5-one is sourced from PubChem (CID 12948279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).