6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one

C17H10F2N2O2 — CID 19706924

IUPAC6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one
SMILESNc1cccc2nc(=O)c(F)c(F)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C17H10F2N2O2/c18-14-13(16(22)9-5-2-1-3-6-9)12-10(20)7-4-8-11(12)21-17(23)15(14)19/h1-8H,20H2
InChIKeyQAROKNRHAIRADJ-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.69
Rot. Bonds2

About 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one

6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one (PubChem CID 19706924) has the molecular formula C17H10F2N2O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one.

Molecular Properties

Compound Name6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one
PubChem CID19706924
Molecular FormulaC17H10F2N2O2
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one
SMILESNc1cccc2nc(=O)c(F)c(F)c(C(=O)c3ccccc3)c12
InChIInChI=1S/C17H10F2N2O2/c18-14-13(16(22)9-5-2-1-3-6-9)12-10(20)7-4-8-11(12)21-17(23)15(14)19/h1-8H,20H2
InChIKeyQAROKNRHAIRADJ-UHFFFAOYSA-N
XLogP2.69
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one?
The IUPAC name of 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one (CID 19706924) is 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one.
What is the SMILES notation for 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one?
The canonical SMILES for 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one is Nc1cccc2nc(=O)c(F)c(F)c(C(=O)c3ccccc3)c12.
What is the InChIKey of 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one?
The InChIKey is QAROKNRHAIRADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O2/c18-14-13(16(22)9-5-2-1-3-6-9)12-10(20)7-4-8-11(12)21-17(23)15(14)19/h1-8H,20H2.
What are the key properties of 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one?
6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one has a molecular weight of 312.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-benzoyl-3,4-difluoro-1-benzazepin-2-one is sourced from PubChem (CID 19706924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).