2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide

C16H12N4O5 — CID 3316109

IUPAC2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O5/c17-8-12-3-1-2-4-15(12)25-10-16(22)19-18-9-11-5-6-14(21)13(7-11)20(23)24/h1-7,9,21H,10H2,(H,19,22)
InChIKeyJOLGEDQXQXEUNG-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide (PubChem CID 3316109) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
PubChem CID3316109
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O5/c17-8-12-3-1-2-4-15(12)25-10-16(22)19-18-9-11-5-6-14(21)13(7-11)20(23)24/h1-7,9,21H,10H2,(H,19,22)
InChIKeyJOLGEDQXQXEUNG-UHFFFAOYSA-N
XLogP1.70
TPSA137.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
2-(2-cyanophenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135419880
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135533086
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 3823669
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide (CID 3316109) is 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide is N#Cc1ccccc1OCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is JOLGEDQXQXEUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c17-8-12-3-1-2-4-15(12)25-10-16(22)19-18-9-11-5-6-14(21)13(7-11)20(23)24/h1-7,9,21H,10H2,(H,19,22).
What are the key properties of 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 340.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3316109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).