N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C16H14N4O7 — CID 135472784

IUPACN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O7/c1-10-2-5-15(13(6-10)20(25)26)27-9-16(22)18-17-8-11-3-4-14(21)12(7-11)19(23)24/h2-8,21H,9H2,1H3,(H,18,22)/b17-8-
InChIKeyHGMFZTJLCFNESY-IUXPMGMMSA-N
MW374.31 g/mol
LogP2.05
Rot. Bonds7

About N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 135472784) has the molecular formula C16H14N4O7 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID135472784
Molecular FormulaC16H14N4O7
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O7/c1-10-2-5-15(13(6-10)20(25)26)27-9-16(22)18-17-8-11-3-4-14(21)12(7-11)19(23)24/h2-8,21H,9H2,1H3,(H,18,22)/b17-8-
InChIKeyHGMFZTJLCFNESY-IUXPMGMMSA-N
XLogP2.05
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

(Z)-N'-(4-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779768
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
2-(4-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
N'-(2-hydroxy-3-nitrobenzylidene)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 135425037
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858
2-(4-Methyl-2-nitrophenoxy)-N'-[(Z)-(4-methylphenyl)methylidene]acetohydrazide
CID 5393383
2-(4-Methyl-2-nitrophenoxy)-N'-[(Z)-(5-methylfuran-2-YL)methylidene]acetohydrazide
CID 6286305
N'-[(E)-[3-(2,4-Dinitrophenoxy)phenyl]methylidene]-2-(2-methylphenoxy)acetohydrazide
CID 9599168
2-(4-methyl-2-nitrophenoxy)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 9690221

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 135472784) is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is HGMFZTJLCFNESY-IUXPMGMMSA-N. The full InChI is InChI=1S/C16H14N4O7/c1-10-2-5-15(13(6-10)20(25)26)27-9-16(22)18-17-8-11-3-4-14(21)12(7-11)19(23)24/h2-8,21H,9H2,1H3,(H,18,22)/b17-8-.
What are the key properties of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 374.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 135472784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).