N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide

C15H13N3O5 — CID 136699135

IUPACN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O5/c19-14-7-6-11(8-13(14)18(21)22)9-16-17-15(20)10-23-12-4-2-1-3-5-12/h1-9,19H,10H2,(H,17,20)/b16-9-
InChIKeySTINFEPUIOCCCB-SXGWCWSVSA-N
MW315.29 g/mol
LogP1.83
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 136699135) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID136699135
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O5/c19-14-7-6-11(8-13(14)18(21)22)9-16-17-15(20)10-23-12-4-2-1-3-5-12/h1-9,19H,10H2,(H,17,20)/b16-9-
InChIKeySTINFEPUIOCCCB-SXGWCWSVSA-N
XLogP1.83
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135533086
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
2-[3-(dimethylamino)phenoxy]-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137080274
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 3823669
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide (CID 136699135) is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is STINFEPUIOCCCB-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-14-7-6-11(8-13(14)18(21)22)9-16-17-15(20)10-23-12-4-2-1-3-5-12/h1-9,19H,10H2,(H,17,20)/b16-9-.
What are the key properties of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 315.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 136699135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).