3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide

C15H14N2O4 — CID 17126860

IUPAC3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(O)c1
InChIInChI=1S/C15H14N2O4/c1-9(10-3-2-4-12(18)5-10)16-17-15(21)11-6-13(19)8-14(20)7-11/h2-8,18-20H,1H3,(H,17,21)/b16-9+
InChIKeyWDTUINPNWZJGIZ-CXUHLZMHSA-N
MW286.29 g/mol
LogP1.96
Rot. Bonds3

About 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide

3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 17126860) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID17126860
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(O)c1
InChIInChI=1S/C15H14N2O4/c1-9(10-3-2-4-12(18)5-10)16-17-15(21)11-6-13(19)8-14(20)7-11/h2-8,18-20H,1H3,(H,17,21)/b16-9+
InChIKeyWDTUINPNWZJGIZ-CXUHLZMHSA-N
XLogP1.96
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660
3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
CID 17126917
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
CID 54777662
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide (CID 17126860) is 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is WDTUINPNWZJGIZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(10-3-2-4-12(18)5-10)16-17-15(21)11-6-13(19)8-14(20)7-11/h2-8,18-20H,1H3,(H,17,21)/b16-9+.
What are the key properties of 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide?
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 286.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 17126860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).