N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide

C21H18N2O3 — CID 6868971

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C21H18N2O3/c1-26-20-12-7-15(13-19(20)24)14-22-23-21(25)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyVFKBXPADMYCZGJ-HYARGMPZSA-N
MW346.39 g/mol
LogP3.83
Rot. Bonds5

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 6868971) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID6868971
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C21H18N2O3/c1-26-20-12-7-15(13-19(20)24)14-22-23-21(25)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyVFKBXPADMYCZGJ-HYARGMPZSA-N
XLogP3.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.83
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 N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 6868971) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is VFKBXPADMYCZGJ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-20-12-7-15(13-19(20)24)14-22-23-21(25)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 6868971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).