2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

C15H12N4O6 — CID 586766

IUPAC2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-15(10-25-14-7-5-13(6-8-14)19(23)24)17-16-9-11-1-3-12(4-2-11)18(21)22/h1-9H,10H2,(H,17,20)
InChIKeyKPGNBWLRISIHDY-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.03
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 586766) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID586766
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-15(10-25-14-7-5-13(6-8-14)19(23)24)17-16-9-11-1-3-12(4-2-11)18(21)22/h1-9H,10H2,(H,17,20)
InChIKeyKPGNBWLRISIHDY-UHFFFAOYSA-N
XLogP2.03
TPSA136.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 586766) is 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KPGNBWLRISIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c20-15(10-25-14-7-5-13(6-8-14)19(23)24)17-16-9-11-1-3-12(4-2-11)18(21)22/h1-9H,10H2,(H,17,20).
What are the key properties of 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 344.28 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 586766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).