2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide

C17H14N4O4 — CID 9467669

IUPAC2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1C#N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O4/c1-12(13-6-4-7-15(9-13)21(23)24)19-20-17(22)11-25-16-8-3-2-5-14(16)10-18/h2-9H,11H2,1H3,(H,20,22)/b19-12-
InChIKeyHYEHJOLYEZULIL-UNOMPAQXSA-N
MW338.32 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 9467669) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID9467669
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1C#N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N4O4/c1-12(13-6-4-7-15(9-13)21(23)24)19-20-17(22)11-25-16-8-3-2-5-14(16)10-18/h2-9H,11H2,1H3,(H,20,22)/b19-12-
InChIKeyHYEHJOLYEZULIL-UNOMPAQXSA-N
XLogP2.39
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2,3-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 23010565
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 1087227
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6084898
2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135680240
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide (CID 9467669) is 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccccc1C#N)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is HYEHJOLYEZULIL-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-12(13-6-4-7-15(9-13)21(23)24)19-20-17(22)11-25-16-8-3-2-5-14(16)10-18/h2-9H,11H2,1H3,(H,20,22)/b19-12-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 338.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9467669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).