N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide

C14H12N2O4 — CID 135403134

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c17-11-6-4-9(5-7-11)14(20)16-15-8-10-2-1-3-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyGHIOMUXICFVSSJ-OVCLIPMQSA-N
MW272.26 g/mol
LogP1.57
Rot. Bonds3

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 135403134) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID135403134
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c17-11-6-4-9(5-7-11)14(20)16-15-8-10-2-1-3-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyGHIOMUXICFVSSJ-OVCLIPMQSA-N
XLogP1.57
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Chel 180
CID 135445765
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
Gsk 4716
CID 5331325
Dynasore
CID 135533054
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
Pandacostat
CID 135928012
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 135403134) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cccc(O)c1O)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is GHIOMUXICFVSSJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-11-6-4-9(5-7-11)14(20)16-15-8-10-2-1-3-12(18)13(10)19/h1-8,17-19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 272.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 135403134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).