N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide

C30H24N6O3 — CID 45048078

IUPACN-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(/C=N/NC(=O)c2ccccc2)cc(/C=N/NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H24N6O3/c37-28(25-10-4-1-5-11-25)34-31-19-22-16-23(20-32-35-29(38)26-12-6-2-7-13-26)18-24(17-22)21-33-36-30(39)27-14-8-3-9-15-27/h1-21H,(H,34,37)(H,35,38)(H,36,39)/b31-19-,32-20+,33-21+
InChIKeyOHVWRNKTFRTYCX-IIQXZEBRSA-N
MW516.56 g/mol
LogP3.98
Rot. Bonds9

About N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide

N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide (PubChem CID 45048078) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
PubChem CID45048078
Molecular FormulaC30H24N6O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC NameN-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(/C=N/NC(=O)c2ccccc2)cc(/C=N/NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H24N6O3/c37-28(25-10-4-1-5-11-25)34-31-19-22-16-23(20-32-35-29(38)26-12-6-2-7-13-26)18-24(17-22)21-33-36-30(39)27-14-8-3-9-15-27/h1-21H,(H,34,37)(H,35,38)(H,36,39)/b31-19-,32-20+,33-21+
InChIKeyOHVWRNKTFRTYCX-IIQXZEBRSA-N
XLogP3.98
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
CID 54610188

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide (CID 45048078) is N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1cc(/C=N/NC(=O)c2ccccc2)cc(/C=N/NC(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide?
The InChIKey is OHVWRNKTFRTYCX-IIQXZEBRSA-N. The full InChI is InChI=1S/C30H24N6O3/c37-28(25-10-4-1-5-11-25)34-31-19-22-16-23(20-32-35-29(38)26-12-6-2-7-13-26)18-24(17-22)21-33-36-30(39)27-14-8-3-9-15-27/h1-21H,(H,34,37)(H,35,38)(H,36,39)/b31-19-,32-20+,33-21+.
What are the key properties of N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide?
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide has a molecular weight of 516.56 g/mol, XLogP of 3.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 45048078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).