N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide

C14H12N2O5 — CID 135421615

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12N2O5/c17-10-4-9(5-11(18)6-10)14(21)16-15-7-8-2-1-3-12(19)13(8)20/h1-7,17-20H,(H,16,21)/b15-7+
InChIKeyFQUMCTPQZAGKTE-VIZOYTHASA-N
MW288.26 g/mol
LogP1.27
Rot. Bonds3

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide (PubChem CID 135421615) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
PubChem CID135421615
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12N2O5/c17-10-4-9(5-11(18)6-10)14(21)16-15-7-8-2-1-3-12(19)13(8)20/h1-7,17-20H,(H,16,21)/b15-7+
InChIKeyFQUMCTPQZAGKTE-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': '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

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137014970
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide (CID 135421615) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide is O=C(N/N=C/c1cccc(O)c1O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is FQUMCTPQZAGKTE-VIZOYTHASA-N. The full InChI is InChI=1S/C14H12N2O5/c17-10-4-9(5-11(18)6-10)14(21)16-15-7-8-2-1-3-12(19)13(8)20/h1-7,17-20H,(H,16,21)/b15-7+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide 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 N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 135421615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).