N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide

C14H12N2O3 — CID 170181665

IUPACN-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
SMILESO=C(N/N=C\c1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12N2O3/c17-12-6-11(7-13(18)8-12)14(19)16-15-9-10-4-2-1-3-5-10/h1-9,17-18H,(H,16,19)/b15-9-
InChIKeySBOPIEBIXWWRPW-DHDCSXOGSA-N
MW256.26 g/mol
LogP1.86
Rot. Bonds3

About N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide

N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide (PubChem CID 170181665) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
PubChem CID170181665
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
SMILESO=C(N/N=C\c1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12N2O3/c17-12-6-11(7-13(18)8-12)14(19)16-15-9-10-4-2-1-3-5-10/h1-9,17-18H,(H,16,19)/b15-9-
InChIKeySBOPIEBIXWWRPW-DHDCSXOGSA-N
XLogP1.86
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
CID 4523906
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 26871357

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide (CID 170181665) is N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide is O=C(N/N=C\c1ccccc1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is SBOPIEBIXWWRPW-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-12-6-11(7-13(18)8-12)14(19)16-15-9-10-4-2-1-3-5-10/h1-9,17-18H,(H,16,19)/b15-9-.
What are the key properties of N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide?
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide has a molecular weight of 256.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 170181665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).