N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

C15H12Cl2N2O3 — CID 135717235

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-8+
InChIKeyLJHQYGWMIZIHHB-QGMBQPNBSA-N
MW339.18 g/mol
LogP3.56
Rot. Bonds3

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 135717235) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID135717235
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-8+
InChIKeyLJHQYGWMIZIHHB-QGMBQPNBSA-N
XLogP3.56
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (CID 135717235) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is C/C(=N\NC(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is LJHQYGWMIZIHHB-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-8+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 339.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135717235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).