N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide

C14H12N2O4 — CID 137285476

IUPACN-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C14H12N2O4/c17-10-6-12(18)11(13(19)7-10)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyPELXFMRYWGXDSK-OVCLIPMQSA-N
MW272.26 g/mol
LogP1.57
Rot. Bonds3

About N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide

N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide (PubChem CID 137285476) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide
PubChem CID137285476
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)cc(O)cc1O)c1ccccc1
InChIInChI=1S/C14H12N2O4/c17-10-6-12(18)11(13(19)7-10)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,17-19H,(H,16,20)/b15-8+
InChIKeyPELXFMRYWGXDSK-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'}

Analyze N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chel 180
CID 135445765
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide (CID 137285476) is N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccccc1.
What is the InChIKey of N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PELXFMRYWGXDSK-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-6-12(18)11(13(19)7-10)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,17-19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide 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)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).