4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide

C22H19N5O2 — CID 170647561

IUPAC4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N5O2/c1-16(28)24-19-13-9-18(10-14-19)22(29)27-23-15-17-7-11-21(12-8-17)26-25-20-5-3-2-4-6-20/h2-15H,1H3,(H,24,28)(H,27,29)/b23-15+,26-25+
InChIKeyABCMHIDUZISTMS-JHXFIANCSA-N
MW385.43 g/mol
LogP4.82
Rot. Bonds6

About 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide

4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide (PubChem CID 170647561) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
PubChem CID170647561
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N5O2/c1-16(28)24-19-13-9-18(10-14-19)22(29)27-23-15-17-7-11-21(12-8-17)26-25-20-5-3-2-4-6-20/h2-15H,1H3,(H,24,28)(H,27,29)/b23-15+,26-25+
InChIKeyABCMHIDUZISTMS-JHXFIANCSA-N
XLogP4.82
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)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

Related Compounds

4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4644510
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide (CID 170647561) is 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide?
The InChIKey is ABCMHIDUZISTMS-JHXFIANCSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-16(28)24-19-13-9-18(10-14-19)22(29)27-23-15-17-7-11-21(12-8-17)26-25-20-5-3-2-4-6-20/h2-15H,1H3,(H,24,28)(H,27,29)/b23-15+,26-25+.
What are the key properties of 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide?
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide has a molecular weight of 385.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 170647561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).