3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

C23H21N3O4 — CID 25237601

IUPAC3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-15(25-26-23(30)18-12-20(27)14-21(28)13-18)17-7-9-19(10-8-17)24-22(29)11-16-5-3-2-4-6-16/h2-10,12-14,27-28H,11H2,1H3,(H,24,29)(H,26,30)/b25-15+
InChIKeyZJZDQWHYOGHGEQ-MFKUBSTISA-N
MW403.44 g/mol
LogP3.43
Rot. Bonds6

About 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 25237601) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID25237601
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-15(25-26-23(30)18-12-20(27)14-21(28)13-18)17-7-9-19(10-8-17)24-22(29)11-16-5-3-2-4-6-16/h2-10,12-14,27-28H,11H2,1H3,(H,24,29)(H,26,30)/b25-15+
InChIKeyZJZDQWHYOGHGEQ-MFKUBSTISA-N
XLogP3.43
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.43
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'}

Analyze 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide 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 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (CID 25237601) is 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is ZJZDQWHYOGHGEQ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15(25-26-23(30)18-12-20(27)14-21(28)13-18)17-7-9-19(10-8-17)24-22(29)11-16-5-3-2-4-6-16/h2-10,12-14,27-28H,11H2,1H3,(H,24,29)(H,26,30)/b25-15+.
What are the key properties of 3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
3,5-dihydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.43, 6 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-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 25237601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).