1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one

C17H15F2NO — CID 114930258

IUPAC1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(Cc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C17H15F2NO/c18-14-6-3-7-15(19)13(14)11-20-10-4-9-17(21)12-5-1-2-8-16(12)20/h1-3,5-8H,4,9-11H2
InChIKeySRZXNBBHNYQRHL-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.95
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one

1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114930258) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114930258
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(Cc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C17H15F2NO/c18-14-6-3-7-15(19)13(14)11-20-10-4-9-17(21)12-5-1-2-8-16(12)20/h1-3,5-8H,4,9-11H2
InChIKeySRZXNBBHNYQRHL-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336772
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336928
1-[(3,5-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 105403525
1-[(2-chloro-5-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 102616136
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336736
1-(4-hydroxybutyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336953
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105403514
1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 107043037
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
1-(2-ethyl-2-hydroxybutyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114493908

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one (CID 114930258) is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one is O=C1CCCN(Cc2c(F)cccc2F)c2ccccc21.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is SRZXNBBHNYQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-14-6-3-7-15(19)13(14)11-20-10-4-9-17(21)12-5-1-2-8-16(12)20/h1-3,5-8H,4,9-11H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 287.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114930258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).