2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide

C17H15N7O4 — CID 44726598

IUPAC2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N7O4/c1-12(13-5-4-6-14(9-13)23-11-18-21-22-23)19-20-17(25)10-28-16-8-3-2-7-15(16)24(26)27/h2-9,11H,10H2,1H3,(H,20,25)/b19-12+
InChIKeyKERPTEMMNXFCKL-XDHOZWIPSA-N
MW381.35 g/mol
LogP1.49
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide

2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide (PubChem CID 44726598) has the molecular formula C17H15N7O4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
PubChem CID44726598
Molecular FormulaC17H15N7O4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N7O4/c1-12(13-5-4-6-14(9-13)23-11-18-21-22-23)19-20-17(25)10-28-16-8-3-2-7-15(16)24(26)27/h2-9,11H,10H2,1H3,(H,20,25)/b19-12+
InChIKeyKERPTEMMNXFCKL-XDHOZWIPSA-N
XLogP1.49
TPSA137.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 135811597
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide (CID 44726598) is 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
The InChIKey is KERPTEMMNXFCKL-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N7O4/c1-12(13-5-4-6-14(9-13)23-11-18-21-22-23)19-20-17(25)10-28-16-8-3-2-7-15(16)24(26)27/h2-9,11H,10H2,1H3,(H,20,25)/b19-12+.
What are the key properties of 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide?
2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide has a molecular weight of 381.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 44726598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).