4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide

C20H13FN2O3 — CID 25189920

IUPAC4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)c(F)c1
InChIInChI=1S/C20H13FN2O3/c21-15-11-12(20(24)23-25)9-10-13(15)19-14-5-1-3-7-17(14)26-18-8-4-2-6-16(18)22-19/h1-11,25H,(H,23,24)
InChIKeyBFMWIFSWFYYOBS-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.22
Rot. Bonds2

About 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide

4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide (PubChem CID 25189920) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide
PubChem CID25189920
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)c(F)c1
InChIInChI=1S/C20H13FN2O3/c21-15-11-12(20(24)23-25)9-10-13(15)19-14-5-1-3-7-17(14)26-18-8-4-2-6-16(18)22-19/h1-11,25H,(H,23,24)
InChIKeyBFMWIFSWFYYOBS-UHFFFAOYSA-N
XLogP4.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.22
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-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide (CID 25189920) is 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(C2=Nc3ccccc3Oc3ccccc32)c(F)c1.
What is the InChIKey of 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide?
The InChIKey is BFMWIFSWFYYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-15-11-12(20(24)23-25)9-10-13(15)19-14-5-1-3-7-17(14)26-18-8-4-2-6-16(18)22-19/h1-11,25H,(H,23,24).
What are the key properties of 4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide?
4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide has a molecular weight of 348.33 g/mol, XLogP of 4.22, 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-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 25189920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).