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

C14H12N2O5 — CID 137211259

IUPAC4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-7,17-20H,(H,16,21)/b15-7+
InChIKeyLWXYILCAINAHMU-VIZOYTHASA-N
MW288.26 g/mol
LogP1.27
Rot. Bonds3

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

4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide (PubChem CID 137211259) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
PubChem CID137211259
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-7,17-20H,(H,16,21)/b15-7+
InChIKeyLWXYILCAINAHMU-VIZOYTHASA-N
XLogP1.27
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
3-[[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 135401277
2,3-Dihydroxybenzylidene-benzohydrazide
CID 336729
4-fluoro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134134648
N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134147280
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135459120
2-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methyleneamino]benzamide
CID 135883086
Pandacostat
CID 135928012
3-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137283260
5-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137283387
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137283404

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide (CID 137211259) is 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is LWXYILCAINAHMU-VIZOYTHASA-N. The full InChI is InChI=1S/C14H12N2O5/c17-10-4-1-8(2-5-10)14(21)16-15-7-9-3-6-11(18)13(20)12(9)19/h1-7,17-20H,(H,16,21)/b15-7+.
What are the key properties of 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 288.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137211259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).