2-(3,4-dinitroanilino)-N-hydroxyacetamide

C8H8N4O6 — CID 175346014

IUPAC2-(3,4-dinitroanilino)-N-hydroxyacetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H8N4O6/c13-8(10-14)4-9-5-1-2-6(11(15)16)7(3-5)12(17)18/h1-3,9,14H,4H2,(H,10,13)
InChIKeyDWPLADPIHZCYIO-UHFFFAOYSA-N
MW256.17 g/mol
LogP0.42
Rot. Bonds5

About 2-(3,4-dinitroanilino)-N-hydroxyacetamide

2-(3,4-dinitroanilino)-N-hydroxyacetamide (PubChem CID 175346014) has the molecular formula C8H8N4O6 and a molecular weight of 256.17 g/mol. Its IUPAC name is 2-(3,4-dinitroanilino)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3,4-dinitroanilino)-N-hydroxyacetamide
PubChem CID175346014
Molecular FormulaC8H8N4O6
Molecular Weight256.17 g/mol
Exact Mass256.04
IUPAC Name2-(3,4-dinitroanilino)-N-hydroxyacetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H8N4O6/c13-8(10-14)4-9-5-1-2-6(11(15)16)7(3-5)12(17)18/h1-3,9,14H,4H2,(H,10,13)
InChIKeyDWPLADPIHZCYIO-UHFFFAOYSA-N
XLogP0.42
TPSA147.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
CID 106749007
N-benzyl-3,4-dinitroaniline
CID 3154285
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
N-cyclopropyl-2-(4-nitro-3-propoxyanilino)acetamide
CID 63670428
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
N-(2-chloroprop-2-enyl)-3-methyl-4-nitroaniline
CID 115637284
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dinitroanilino)-N-hydroxyacetamide?
The IUPAC name of 2-(3,4-dinitroanilino)-N-hydroxyacetamide (CID 175346014) is 2-(3,4-dinitroanilino)-N-hydroxyacetamide.
What is the SMILES notation for 2-(3,4-dinitroanilino)-N-hydroxyacetamide?
The canonical SMILES for 2-(3,4-dinitroanilino)-N-hydroxyacetamide is O=C(CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)NO.
What is the InChIKey of 2-(3,4-dinitroanilino)-N-hydroxyacetamide?
The InChIKey is DWPLADPIHZCYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O6/c13-8(10-14)4-9-5-1-2-6(11(15)16)7(3-5)12(17)18/h1-3,9,14H,4H2,(H,10,13).
What are the key properties of 2-(3,4-dinitroanilino)-N-hydroxyacetamide?
2-(3,4-dinitroanilino)-N-hydroxyacetamide has a molecular weight of 256.17 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dinitroanilino)-N-hydroxyacetamide is sourced from PubChem (CID 175346014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).