4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

C21H18N2O3 — CID 6900270

IUPAC4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3/c24-19-10-8-18(9-11-19)21(25)23-22-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeySZXWHGDCUFXJLQ-HYARGMPZSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds6

About 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6900270) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6900270
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3/c24-19-10-8-18(9-11-19)21(25)23-22-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeySZXWHGDCUFXJLQ-HYARGMPZSA-N
XLogP3.74
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6900270) is 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SZXWHGDCUFXJLQ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-10-8-18(9-11-19)21(25)23-22-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14,24H,15H2,(H,23,25)/b22-14+.
What are the key properties of 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6900270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).