N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide

C23H20N4O4 — CID 135688473

IUPACN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N4O4/c1-31-20-12-18(14-24-26-22(29)16-8-4-2-5-9-16)21(28)19(13-20)15-25-27-23(30)17-10-6-3-7-11-17/h2-15,28H,1H3,(H,26,29)(H,27,30)/b24-14+,25-15?
InChIKeyOLFHQUGRPKEITH-SDHMEQEXSA-N
MW416.44 g/mol
LogP2.93
Rot. Bonds7

About N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide

N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide (PubChem CID 135688473) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
PubChem CID135688473
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N4O4/c1-31-20-12-18(14-24-26-22(29)16-8-4-2-5-9-16)21(28)19(13-20)15-25-27-23(30)17-10-6-3-7-11-17/h2-15,28H,1H3,(H,26,29)(H,27,30)/b24-14+,25-15?
InChIKeyOLFHQUGRPKEITH-SDHMEQEXSA-N
XLogP2.93
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135615813
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide (CID 135688473) is N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccccc2)c(O)c(/C=N/NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide?
The InChIKey is OLFHQUGRPKEITH-SDHMEQEXSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-31-20-12-18(14-24-26-22(29)16-8-4-2-5-9-16)21(28)19(13-20)15-25-27-23(30)17-10-6-3-7-11-17/h2-15,28H,1H3,(H,26,29)(H,27,30)/b24-14+,25-15?.
What are the key properties of N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide?
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide has a molecular weight of 416.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135688473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).