4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

C23H22N4O2 — CID 6881273

IUPAC4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-27(2)21-14-8-17(9-15-21)16-24-26-23(29)19-10-12-20(13-11-19)25-22(28)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+
InChIKeyHDFLGWTZVHHZBR-LFVJCYFKSA-N
MW386.46 g/mol
LogP3.77
Rot. Bonds6

About 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 6881273) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID6881273
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-27(2)21-14-8-17(9-15-21)16-24-26-23(29)19-10-12-20(13-11-19)25-22(28)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+
InChIKeyHDFLGWTZVHHZBR-LFVJCYFKSA-N
XLogP3.77
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
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'}

Analyze 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]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 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 6881273) is 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is HDFLGWTZVHHZBR-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-27(2)21-14-8-17(9-15-21)16-24-26-23(29)19-10-12-20(13-11-19)25-22(28)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+.
What are the key properties of 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6881273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).