4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

C21H18N2O3 — CID 6900167

IUPAC4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3/c24-19-11-9-18(10-12-19)21(25)23-22-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeyBOEFVERUHKPCBD-HYARGMPZSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds6

About 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6900167) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6900167
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3/c24-19-11-9-18(10-12-19)21(25)23-22-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeyBOEFVERUHKPCBD-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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Related Compounds

4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6900167) is 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BOEFVERUHKPCBD-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-11-9-18(10-12-19)21(25)23-22-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14,24H,15H2,(H,23,25)/b22-14+.
What are the key properties of 4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(3-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)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6900167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).