9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

C15H12FNO — CID 90080295

IUPAC9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCc1cccc2c1NC(=O)Cc1cc(F)ccc1-2
InChIInChI=1S/C15H12FNO/c1-9-3-2-4-13-12-6-5-11(16)7-10(12)8-14(18)17-15(9)13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXQLAYZMQGXCCSF-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.30
Rot. Bonds

About 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (PubChem CID 90080295) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
PubChem CID90080295
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCc1cccc2c1NC(=O)Cc1cc(F)ccc1-2
InChIInChI=1S/C15H12FNO/c1-9-3-2-4-13-12-6-5-11(16)7-10(12)8-14(18)17-15(9)13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyXQLAYZMQGXCCSF-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The IUPAC name of 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (CID 90080295) is 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The canonical SMILES for 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is Cc1cccc2c1NC(=O)Cc1cc(F)ccc1-2.
What is the InChIKey of 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The InChIKey is XQLAYZMQGXCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-9-3-2-4-13-12-6-5-11(16)7-10(12)8-14(18)17-15(9)13/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one has a molecular weight of 241.27 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 90080295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).