4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide

C20H14N2O3 — CID 24779775

IUPAC4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)
InChIKeyZBYQBWHQMGPCBT-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.08
Rot. Bonds2

About 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide

4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide (PubChem CID 24779775) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide.

Molecular Properties

Compound Name4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide
PubChem CID24779775
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)
InChIKeyZBYQBWHQMGPCBT-UHFFFAOYSA-N
XLogP4.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide?
The IUPAC name of 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide (CID 24779775) is 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide.
What is the SMILES notation for 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide?
The canonical SMILES for 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide is O=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide?
The InChIKey is ZBYQBWHQMGPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23).
What are the key properties of 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide?
4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide has a molecular weight of 330.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide is sourced from PubChem (CID 24779775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).