N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide

C13H11N3O4 — CID 5334323

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1
InChIInChI=1S/C13H11N3O4/c17-13(15-14-9-12-2-1-7-20-12)8-10-3-5-11(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17)/b14-9+
InChIKeyJHVADQUYMNAVRC-NTEUORMPSA-N
MW273.25 g/mol
LogP1.88
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 5334323) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID5334323
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1
InChIInChI=1S/C13H11N3O4/c17-13(15-14-9-12-2-1-7-20-12)8-10-3-5-11(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17)/b14-9+
InChIKeyJHVADQUYMNAVRC-NTEUORMPSA-N
XLogP1.88
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide (CID 5334323) is N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is JHVADQUYMNAVRC-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-13(15-14-9-12-2-1-7-20-12)8-10-3-5-11(6-4-10)16(18)19/h1-7,9H,8H2,(H,15,17)/b14-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 273.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).