N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C21H18N2O3 — CID 4937790

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-18-12-10-16(11-13-18)14-22-23-21(25)19-8-4-5-9-20(19)26-15-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,23,25)
InChIKeyVQZLSKFCAYROSU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds6

About N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 4937790) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID4937790
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-18-12-10-16(11-13-18)14-22-23-21(25)19-8-4-5-9-20(19)26-15-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,23,25)
InChIKeyVQZLSKFCAYROSU-UHFFFAOYSA-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': '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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Related Compounds

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657831
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
CID 4523906
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 4937790) is N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is O=C(NN=Cc1ccc(O)cc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is VQZLSKFCAYROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-18-12-10-16(11-13-18)14-22-23-21(25)19-8-4-5-9-20(19)26-15-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,23,25).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide 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 N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 4937790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).