2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C19H14N4O7 — CID 6871801

IUPAC2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H14N4O7/c24-19(12-29-18-4-2-1-3-16(18)23(27)28)21-20-11-15-9-10-17(30-15)13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,21,24)/b20-11+
InChIKeySKZUTBGIJHEPDK-RGVLZGJSSA-N
MW410.34 g/mol
LogP3.29
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 6871801) has the molecular formula C19H14N4O7 and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID6871801
Molecular FormulaC19H14N4O7
Molecular Weight410.34 g/mol
Exact Mass410.09
IUPAC Name2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H14N4O7/c24-19(12-29-18-4-2-1-3-16(18)23(27)28)21-20-11-15-9-10-17(30-15)13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,21,24)/b20-11+
InChIKeySKZUTBGIJHEPDK-RGVLZGJSSA-N
XLogP3.29
TPSA150.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
2-(4-tert-butylphenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6898636
2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5441243
2-(2,6-dibromo-4-methylphenoxy)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3398773
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 41300970
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 6873079
2-benzylsulfanyl-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3948367
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126024433
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1237523

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 6871801) is 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is SKZUTBGIJHEPDK-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H14N4O7/c24-19(12-29-18-4-2-1-3-16(18)23(27)28)21-20-11-15-9-10-17(30-15)13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,21,24)/b20-11+.
What are the key properties of 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 410.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 6871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).