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

C14H12N2O3 — CID 135504499

IUPAC2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H12N2O3/c17-11-7-5-10(6-8-11)9-15-16-14(19)12-3-1-2-4-13(12)18/h1-9,17-18H,(H,16,19)/b15-9+
InChIKeyQARCGYPQQSPAFJ-OQLLNIDSSA-N
MW256.26 g/mol
LogP1.86
Rot. Bonds3

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

2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135504499) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135504499
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H12N2O3/c17-11-7-5-10(6-8-11)9-15-16-14(19)12-3-1-2-4-13(12)18/h1-9,17-18H,(H,16,19)/b15-9+
InChIKeyQARCGYPQQSPAFJ-OQLLNIDSSA-N
XLogP1.86
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135504499) is 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is QARCGYPQQSPAFJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-11-7-5-10(6-8-11)9-15-16-14(19)12-3-1-2-4-13(12)18/h1-9,17-18H,(H,16,19)/b15-9+.
What are the key properties of 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 256.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135504499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).