N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide

C21H16N2O4 — CID 25189602

IUPACN-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide
SMILESCOc1cccc2c1Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H16N2O4/c1-26-18-8-4-5-15-19(13-9-11-14(12-10-13)21(24)23-25)22-16-6-2-3-7-17(16)27-20(15)18/h2-12,25H,1H3,(H,23,24)
InChIKeyAWLZZGOVXAZLEP-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.09
Rot. Bonds3

About N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide

N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide (PubChem CID 25189602) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide
PubChem CID25189602
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide
SMILESCOc1cccc2c1Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H16N2O4/c1-26-18-8-4-5-15-19(13-9-11-14(12-10-13)21(24)23-25)22-16-6-2-3-7-17(16)27-20(15)18/h2-12,25H,1H3,(H,23,24)
InChIKeyAWLZZGOVXAZLEP-UHFFFAOYSA-N
XLogP4.09
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
4-(7-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide
CID 25189741
N-hydroxy-4-[9-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzamide
CID 25189800
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
(4-fluorophenyl)-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methanone
CID 42688840
N-hydroxy-4-(5-oxo-6H-benzo[c][1,5]benzothiazocin-12-yl)benzamide
CID 143892288
1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 42688847
4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42689540
4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-N-(3-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42875976
4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]benzoic acid
CID 67007559
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide?
The IUPAC name of N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide (CID 25189602) is N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide.
What is the SMILES notation for N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide?
The canonical SMILES for N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide is COc1cccc2c1Oc1ccccc1N=C2c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide?
The InChIKey is AWLZZGOVXAZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-26-18-8-4-5-15-19(13-9-11-14(12-10-13)21(24)23-25)22-16-6-2-3-7-17(16)27-20(15)18/h2-12,25H,1H3,(H,23,24).
What are the key properties of N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide?
N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide has a molecular weight of 360.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)benzamide is sourced from PubChem (CID 25189602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).