4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide

C22H18N2O2 — CID 118650689

IUPAC4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C2=N/c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H18N2O2/c25-22(24-26)18-13-11-17(12-14-18)21-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)23-21/h1-8,11-14,26H,9-10H2,(H,24,25)/b23-21-
InChIKeyJTQISNVVYMSZIN-LNVKXUELSA-N
MW342.40 g/mol
LogP4.07
Rot. Bonds2

About 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide

4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide (PubChem CID 118650689) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide
PubChem CID118650689
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C2=N/c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H18N2O2/c25-22(24-26)18-13-11-17(12-14-18)21-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)23-21/h1-8,11-14,26H,9-10H2,(H,24,25)/b23-21-
InChIKeyJTQISNVVYMSZIN-LNVKXUELSA-N
XLogP4.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide (CID 118650689) is 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide is O=C(NO)c1ccc(/C2=N/c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide?
The InChIKey is JTQISNVVYMSZIN-LNVKXUELSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(24-26)18-13-11-17(12-14-18)21-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)23-21/h1-8,11-14,26H,9-10H2,(H,24,25)/b23-21-.
What are the key properties of 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide?
4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,12-dihydrobenzo[c][1]benzazocin-6-yl)-N-hydroxybenzamide is sourced from PubChem (CID 118650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).