N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide

C21H18N4O3 — CID 135576476

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc(N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C21H18N4O3/c26-19-8-4-15(5-9-19)13-22-24-18-3-1-2-17(12-18)21(28)25-23-14-16-6-10-20(27)11-7-16/h1-14,24,26-27H,(H,25,28)/b22-13+,23-14+
InChIKeyRCOAEHIFUXAUKG-MSKUYSOUSA-N
MW374.40 g/mol
LogP3.31
Rot. Bonds6

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide (PubChem CID 135576476) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide
PubChem CID135576476
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccc(N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C21H18N4O3/c26-19-8-4-15(5-9-19)13-22-24-18-3-1-2-17(12-18)21(28)25-23-14-16-6-10-20(27)11-7-16/h1-14,24,26-27H,(H,25,28)/b22-13+,23-14+
InChIKeyRCOAEHIFUXAUKG-MSKUYSOUSA-N
XLogP3.31
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide (CID 135576476) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide is O=C(N/N=C/c1ccc(O)cc1)c1cccc(N/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide?
The InChIKey is RCOAEHIFUXAUKG-MSKUYSOUSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19-8-4-15(5-9-19)13-22-24-18-3-1-2-17(12-18)21(28)25-23-14-16-6-10-20(27)11-7-16/h1-14,24,26-27H,(H,25,28)/b22-13+,23-14+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 135576476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).