8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one

C15H9ClF3NO2 — CID 139467938

IUPAC8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1NC2=CC(OC(F)(F)F)=CCC2=Cc2ccc(Cl)cc21
InChIInChI=1S/C15H9ClF3NO2/c16-10-3-1-8-5-9-2-4-11(22-15(17,18)19)7-13(9)20-14(21)12(8)6-10/h1,3-7H,2H2,(H,20,21)
InChIKeyFJPKBISUISSFPI-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.17
Rot. Bonds1

About 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one

8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one (PubChem CID 139467938) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one
PubChem CID139467938
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1NC2=CC(OC(F)(F)F)=CCC2=Cc2ccc(Cl)cc21
InChIInChI=1S/C15H9ClF3NO2/c16-10-3-1-8-5-9-2-4-11(22-15(17,18)19)7-13(9)20-14(21)12(8)6-10/h1,3-7H,2H2,(H,20,21)
InChIKeyFJPKBISUISSFPI-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one?
The IUPAC name of 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one (CID 139467938) is 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one?
The canonical SMILES for 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one is O=C1NC2=CC(OC(F)(F)F)=CCC2=Cc2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one?
The InChIKey is FJPKBISUISSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-10-3-1-8-5-9-2-4-11(22-15(17,18)19)7-13(9)20-14(21)12(8)6-10/h1,3-7H,2H2,(H,20,21).
What are the key properties of 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one?
8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one has a molecular weight of 327.69 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(trifluoromethoxy)-1,5-dihydrobenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 139467938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).