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

C14H12N2O4 — CID 135459120

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccccc1O
InChIInChI=1S/C14H12N2O4/c17-10-6-5-9(13(19)7-10)8-15-16-14(20)11-3-1-2-4-12(11)18/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyIZHWUQGNICKCJL-OVCLIPMQSA-N
MW272.26 g/mol
LogP1.57
Rot. Bonds3

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135459120) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135459120
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccccc1O
InChIInChI=1S/C14H12N2O4/c17-10-6-5-9(13(19)7-10)8-15-16-14(20)11-3-1-2-4-12(11)18/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyIZHWUQGNICKCJL-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': '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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Related Compounds

Chel 180
CID 135445765
Benzoic acid, 2,4-dihydroxy-, hydrazide
CID 166785
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
Nsc204792
CID 135459102
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135433517
2-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methyleneamino]benzamide
CID 135883086

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 135459120) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is IZHWUQGNICKCJL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-6-5-9(13(19)7-10)8-15-16-14(20)11-3-1-2-4-12(11)18/h1-8,17-19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-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)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135459120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).