N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C23H20N4O5 — CID 135517039

IUPACN-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O5/c28-20-12-11-16(13-19(20)27(31)32)14-25-26-21(29)15-24-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,24,30)(H,26,29)/b25-14+
InChIKeyPRJQSCYMVFMXNE-AFUMVMLFSA-N
MW432.44 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 135517039) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID135517039
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O5/c28-20-12-11-16(13-19(20)27(31)32)14-25-26-21(29)15-24-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,24,30)(H,26,29)/b25-14+
InChIKeyPRJQSCYMVFMXNE-AFUMVMLFSA-N
XLogP2.70
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide 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

2-hydroxy-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135624573
2-hydroxy-N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642279
N-[1-(4-Methoxy-3-nitro-phenyl)-meth-(Z)-ylidene-hydrazinocarbonylmethyl]-2,2-diphenyl-acetamide
CID 5609660
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2-(naphthalen-1-YL)acetohydrazide
CID 135455115
4-Fluoro-N-({N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135521495
N-{(1E)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-(3-hydroxy-4-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
CID 9599309
N-[1-{[2-(4-hydroxybenzylidene)hydrazino]carbonyl}-2-(4-nitrophenyl)vinyl]benzamide
CID 135446673
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide
CID 135455062
3-fluoro-N-{2-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135479424
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 155527114
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 136810482
(2S)-2-[[(2S)-2-[[16-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-16-oxo-hexadecanoyl]amino]-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-3-phenyl-propanoic acid
CID 5277551

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 135517039) is N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is PRJQSCYMVFMXNE-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-20-12-11-16(13-19(20)27(31)32)14-25-26-21(29)15-24-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,24,30)(H,26,29)/b25-14+.
What are the key properties of N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 432.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 135517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).