2-nitro-N-(4-nitrophenyl)acetamide

C8H7N3O5 — CID 19743312

IUPAC2-nitro-N-(4-nitrophenyl)acetamide
SMILESO=C(C[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O5/c12-8(5-10(13)14)9-6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,9,12)
InChIKeyKJGXMBAYFVGREM-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.81
Rot. Bonds4

About 2-nitro-N-(4-nitrophenyl)acetamide

2-nitro-N-(4-nitrophenyl)acetamide (PubChem CID 19743312) has the molecular formula C8H7N3O5 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-nitro-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-nitro-N-(4-nitrophenyl)acetamide
PubChem CID19743312
Molecular FormulaC8H7N3O5
Molecular Weight225.16 g/mol
Exact Mass225.04
IUPAC Name2-nitro-N-(4-nitrophenyl)acetamide
SMILESO=C(C[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O5/c12-8(5-10(13)14)9-6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,9,12)
InChIKeyKJGXMBAYFVGREM-UHFFFAOYSA-N
XLogP0.81
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-aminooxy-N-(4-nitrophenyl)acetamide
CID 159220259
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
(2S)-2-azaniumyl-4-(4-nitroanilino)-4-oxobutanoate
CID 7408380
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
3-[methyl-[3-(4-nitroanilino)-3-oxopropyl]amino]propanoic acid
CID 119912234

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-nitro-N-(4-nitrophenyl)acetamide (CID 19743312) is 2-nitro-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-nitro-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-nitro-N-(4-nitrophenyl)acetamide is O=C(C[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-nitro-N-(4-nitrophenyl)acetamide?
The InChIKey is KJGXMBAYFVGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5/c12-8(5-10(13)14)9-6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,9,12).
What are the key properties of 2-nitro-N-(4-nitrophenyl)acetamide?
2-nitro-N-(4-nitrophenyl)acetamide has a molecular weight of 225.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 19743312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).