2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide

C15H12N4O9 — CID 17359269

IUPAC2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O9/c1-27-14-7-10(18(23)24)2-4-11(14)16-15(20)8-28-13-5-3-9(17(21)22)6-12(13)19(25)26/h2-7H,8H2,1H3,(H,16,20)
InChIKeyHTNSHDXYBMAYKO-UHFFFAOYSA-N
MW392.28 g/mol
LogP2.44
Rot. Bonds8

About 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 17359269) has the molecular formula C15H12N4O9 and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID17359269
Molecular FormulaC15H12N4O9
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O9/c1-27-14-7-10(18(23)24)2-4-11(14)16-15(20)8-28-13-5-3-9(17(21)22)6-12(13)19(25)26/h2-7H,8H2,1H3,(H,16,20)
InChIKeyHTNSHDXYBMAYKO-UHFFFAOYSA-N
XLogP2.44
TPSA176.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8010465
dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 4151536

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 17359269) is 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is HTNSHDXYBMAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O9/c1-27-14-7-10(18(23)24)2-4-11(14)16-15(20)8-28-13-5-3-9(17(21)22)6-12(13)19(25)26/h2-7H,8H2,1H3,(H,16,20).
What are the key properties of 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 392.28 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 17359269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).