[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)

C14H13ClCoN2O2+2 — CID 50911654

IUPAC[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
SMILESCl[Co+].O=C(NN=Cc1ccccc1[OH2+])c1ccccc1
InChIInChI=1S/C14H12N2O2.ClH.Co/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;;/h1-10,17H,(H,16,18);1H;/q;;+2
InChIKeyQSQXVQLADLFUIT-UHFFFAOYSA-N
MW335.66 g/mol
LogP2.58
Rot. Bonds3

About [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)

[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+) (PubChem CID 50911654) has the molecular formula C14H13ClCoN2O2+2 and a molecular weight of 335.66 g/mol. Its IUPAC name is [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+).

Molecular Properties

Compound Name[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
PubChem CID50911654
Molecular FormulaC14H13ClCoN2O2+2
Molecular Weight335.66 g/mol
Exact Mass335.00
IUPAC Name[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
SMILESCl[Co+].O=C(NN=Cc1ccccc1[OH2+])c1ccccc1
InChIInChI=1S/C14H12N2O2.ClH.Co/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;;/h1-10,17H,(H,16,18);1H;/q;;+2
InChIKeyQSQXVQLADLFUIT-UHFFFAOYSA-N
XLogP2.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
CID 6900311
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620

Frequently Asked Questions

What is the IUPAC name of [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)?
The IUPAC name of [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+) (CID 50911654) is [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+).
What is the SMILES notation for [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)?
The canonical SMILES for [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+) is Cl[Co+].O=C(NN=Cc1ccccc1[OH2+])c1ccccc1.
What is the InChIKey of [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)?
The InChIKey is QSQXVQLADLFUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2.ClH.Co/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;;/h1-10,17H,(H,16,18);1H;/q;;+2.
What are the key properties of [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)?
[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+) has a molecular weight of 335.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+) is sourced from PubChem (CID 50911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).