N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C15H13N3O5 — CID 136757938

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1O
InChIInChI=1S/C15H13N3O5/c19-13-7-3-1-5-11(13)9-16-17-15(20)10-23-14-8-4-2-6-12(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9-
InChIKeyRFJOFWGYKHXMGT-SXGWCWSVSA-N
MW315.29 g/mol
LogP1.83
Rot. Bonds6

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 136757938) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID136757938
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1O
InChIInChI=1S/C15H13N3O5/c19-13-7-3-1-5-11(13)9-16-17-15(20)10-23-14-8-4-2-6-12(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9-
InChIKeyRFJOFWGYKHXMGT-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_A(479)', '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)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 136757938) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is RFJOFWGYKHXMGT-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-13-7-3-1-5-11(13)9-16-17-15(20)10-23-14-8-4-2-6-12(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide 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)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 136757938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).