4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide

C22H21N3O2 — CID 118650708

IUPAC4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide
SMILESO=C(NNO)c1ccc(CN2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2/c26-22(23-24-27)19-11-9-16(10-12-19)15-25-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)25/h1-12,24,27H,13-15H2,(H,23,26)
InChIKeyCQUGAENYIHJXDE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.75
Rot. Bonds4

About 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide

4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide (PubChem CID 118650708) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide.

Molecular Properties

Compound Name4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide
PubChem CID118650708
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide
SMILESO=C(NNO)c1ccc(CN2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2/c26-22(23-24-27)19-11-9-16(10-12-19)15-25-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)25/h1-12,24,27H,13-15H2,(H,23,26)
InChIKeyCQUGAENYIHJXDE-UHFFFAOYSA-N
XLogP3.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
CID 155536301
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetyl chloride
CID 4641379
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 125042170
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide?
The IUPAC name of 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide (CID 118650708) is 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide.
What is the SMILES notation for 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide?
The canonical SMILES for 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide is O=C(NNO)c1ccc(CN2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide?
The InChIKey is CQUGAENYIHJXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(23-24-27)19-11-9-16(10-12-19)15-25-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)25/h1-12,24,27H,13-15H2,(H,23,26).
What are the key properties of 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide?
4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide has a molecular weight of 359.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide is sourced from PubChem (CID 118650708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).