4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide

C17H18N4O3 — CID 122601008

IUPAC4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyHHDICTUTXIOTBC-WOJGMQOQSA-N
MW326.36 g/mol
LogP1.64
Rot. Bonds5

About 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide

4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide (PubChem CID 122601008) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
PubChem CID122601008
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyHHDICTUTXIOTBC-WOJGMQOQSA-N
XLogP1.64
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide 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

SK-7041
CID 6918714
N'-[4-(diethylamino)benzylidene]benzohydrazide
CID 6870927
3-(Benzoyl-hydrazono)-2-hydroxyimino-N-phenyl-butyramide
CID 135616984
4-amino-N-[(E)-benzylideneamino]benzamide
CID 6895692
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}benzohydrazide
CID 6861475
Acyl Hydrazone, 8
CID 6898921
N'-[4-(dimethylamino)benzylidene]-2-hydroxy-4-quinolinecarbohydrazide
CID 5347000
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
3-(dimethylamino)-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 6893100
4-(dimethylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6939051
4-(dimethylamino)-N'-[1-(3,4-dimethylphenyl)ethylidene]benzohydrazide
CID 9563472
N-(4-{[(2E)-2-(4-nitrobenzylidene)hydrazino]carbonyl}phenyl)hexanamide
CID 9596025

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide (CID 122601008) is 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide is CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The InChIKey is HHDICTUTXIOTBC-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+.
What are the key properties of 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide has a molecular weight of 326.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 122601008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).