N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

C15H13N3O4 — CID 135541705

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H13N3O4/c19-14-7-3-12(4-8-14)10-16-17-15(20)9-11-1-5-13(6-2-11)18(21)22/h1-8,10,19H,9H2,(H,17,20)/b16-10+
InChIKeyMLHMJTNYCDGHND-MHWRWJLKSA-N
MW299.29 g/mol
LogP1.99
Rot. Bonds5

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 135541705) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID135541705
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H13N3O4/c19-14-7-3-12(4-8-14)10-16-17-15(20)9-11-1-5-13(6-2-11)18(21)22/h1-8,10,19H,9H2,(H,17,20)/b16-10+
InChIKeyMLHMJTNYCDGHND-MHWRWJLKSA-N
XLogP1.99
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide 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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
2-hydroxy-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135624573
N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-3-[2-(4-nitrobenzylidene)hydrazino]-3-oxopropanamide
CID 5348708
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
4-hydroxy-N'-[1-(3-nitrophenyl)ethylidene]benzohydrazide
CID 5402794
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
N'-{4-hydroxy-3-nitrobenzylidene}-2-(1-naphthyl)acetohydrazide
CID 135455115
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (CID 135541705) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is MLHMJTNYCDGHND-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14-7-3-12(4-8-14)10-16-17-15(20)9-11-1-5-13(6-2-11)18(21)22/h1-8,10,19H,9H2,(H,17,20)/b16-10+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 299.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 135541705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).