4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

C23H21N3O3 — CID 25237598

IUPAC4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16+
InChIKeyYDGANWJURHRYJB-PCLIKHOPSA-N
MW387.44 g/mol
LogP3.73
Rot. Bonds6

About 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 25237598) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID25237598
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16+
InChIKeyYDGANWJURHRYJB-PCLIKHOPSA-N
XLogP3.73
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (CID 25237598) is 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is YDGANWJURHRYJB-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(25-26-23(29)19-9-13-21(27)14-10-19)18-7-11-20(12-8-18)24-22(28)15-17-5-3-2-4-6-17/h2-14,27H,15H2,1H3,(H,24,28)(H,26,29)/b25-16+.
What are the key properties of 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 25237598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).