3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide

C21H18N2O3 — CID 6911496

IUPAC3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C21H18N2O3/c24-19-11-6-10-17(13-19)21(25)23-22-14-18-9-4-5-12-20(18)26-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeyZXMSPCUCSDBNTL-HYARGMPZSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds6

About 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6911496) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6911496
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C21H18N2O3/c24-19-11-6-10-17(13-19)21(25)23-22-14-18-9-4-5-12-20(18)26-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,23,25)/b22-14+
InChIKeyZXMSPCUCSDBNTL-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

3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 126320551
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6165907
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6911496) is 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is ZXMSPCUCSDBNTL-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-11-6-10-17(13-19)21(25)23-22-14-18-9-4-5-12-20(18)26-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,23,25)/b22-14+.
What are the key properties of 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(2-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 3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6911496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).