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

C21H18N2O4 — CID 25237444

IUPAC4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyPLMGULBGEORUQB-HYARGMPZSA-N
MW362.39 g/mol
LogP3.96
Rot. Bonds6

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

4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 25237444) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID25237444
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyPLMGULBGEORUQB-HYARGMPZSA-N
XLogP3.96
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 25237444) is 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is COc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is PLMGULBGEORUQB-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25)/b22-14+.
What are the key properties of 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 25237444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).