4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide

C20H13FN2O3 — CID 25189741

IUPAC4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3cccc(F)c32)cc1
InChIInChI=1S/C20H13FN2O3/c21-14-4-3-7-17-18(14)19(22-15-5-1-2-6-16(15)26-17)12-8-10-13(11-9-12)20(24)23-25/h1-11,25H,(H,23,24)
InChIKeyURNUJJCMVXIMEN-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.22
Rot. Bonds2

About 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide

4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide (PubChem CID 25189741) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
PubChem CID25189741
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3cccc(F)c32)cc1
InChIInChI=1S/C20H13FN2O3/c21-14-4-3-7-17-18(14)19(22-15-5-1-2-6-16(15)26-17)12-8-10-13(11-9-12)20(24)23-25/h1-11,25H,(H,23,24)
InChIKeyURNUJJCMVXIMEN-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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Related Compounds

N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide
CID 25189456
N-hydroxy-4-[9-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189800
4-benzo[b][1,4]benzoxazepin-6-yl-3-fluoro-N-hydroxybenzamide
CID 25189920
N-hydroxy-4-[2-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189604
N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide
CID 25189602
ethyl 4-benzo[b][1,4]benzoxazepin-6-ylbenzoate;ethyl 4-(5-methylbenzo[b][1,4]benzoxazepin-5-ium-6-yl)benzoate;N-hydroxy-4-(5-methylbenzo[b][1,4]benzoxazepin-5-ium-6-yl)benzamide
CID 158420491
N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide
CID 143892288
4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzoic acid
CID 67007559
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
N-hydroxy-4-[2-(trifluoromethyl)pyrido[2,3-b][1,4]benzoxazepin-3-yl]benzamide
CID 150241776
2-[2-fluoro-4-(3-fluoro-2-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 137199877
N-hydroxybenzamide;nickel
CID 88846751

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide (CID 25189741) is 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide is O=C(NO)c1ccc(C2=Nc3ccccc3Oc3cccc(F)c32)cc1.
What is the InChIKey of 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide?
The InChIKey is URNUJJCMVXIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-14-4-3-7-17-18(14)19(22-15-5-1-2-6-16(15)26-17)12-8-10-13(11-9-12)20(24)23-25/h1-11,25H,(H,23,24).
What are the key properties of 4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide?
4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-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-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide is sourced from PubChem (CID 25189741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).