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

C15H14N2O4 — CID 135472596

IUPAC4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O
InChIInChI=1S/C15H14N2O4/c1-21-13-4-2-3-11(14(13)19)9-16-17-15(20)10-5-7-12(18)8-6-10/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyVXMXFOZQBCSQSX-CXUHLZMHSA-N
MW286.29 g/mol
LogP1.87
Rot. Bonds4

About 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135472596) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID135472596
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O
InChIInChI=1S/C15H14N2O4/c1-21-13-4-2-3-11(14(13)19)9-16-17-15(20)10-5-7-12(18)8-6-10/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyVXMXFOZQBCSQSX-CXUHLZMHSA-N
XLogP1.87
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 135472596) is 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O.
What is the InChIKey of 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is VXMXFOZQBCSQSX-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-4-2-3-11(14(13)19)9-16-17-15(20)10-5-7-12(18)8-6-10/h2-9,18-19H,1H3,(H,17,20)/b16-9+.
What are the key properties of 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 286.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135472596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).