2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide

C10H10N6O5 — CID 54153970

IUPAC2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide
SMILES[N-]=[N+]=CC(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O5/c11-14-6-10(17)13-4-3-12-8-2-1-7(15(18)19)5-9(8)16(20)21/h1-2,5-6,12H,3-4H2,(H,13,17)
InChIKeyOJSWEJZIDNWRGF-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.33
Rot. Bonds7

About 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide

2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide (PubChem CID 54153970) has the molecular formula C10H10N6O5 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide
PubChem CID54153970
Molecular FormulaC10H10N6O5
Molecular Weight294.23 g/mol
Exact Mass294.07
IUPAC Name2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide
SMILES[N-]=[N+]=CC(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O5/c11-14-6-10(17)13-4-3-12-8-2-1-7(15(18)19)5-9(8)16(20)21/h1-2,5-6,12H,3-4H2,(H,13,17)
InChIKeyOJSWEJZIDNWRGF-UHFFFAOYSA-N
XLogP0.33
TPSA163.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dinitroanilino)ethylazanium
CID 7122512
2-(2,4-dinitroanilino)acetate
CID 4738135
diazomethanone;2-(2,4-dinitroanilino)acetic acid
CID 20833188
N'-(2,4-dinitrophenyl)octane-1,8-diamine
CID 121482468
2,4-dinitro-N-pent-4-ynylaniline
CID 103704472
N-(2-methylsulfanylethyl)-2,4-dinitroaniline
CID 60632017
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
4-[2-(2,4-dinitroanilino)ethyldisulfanyl]butanal
CID 57029615
(2S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methylbutanamide
CID 10428137
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066
2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475

Frequently Asked Questions

What is the IUPAC name of 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide?
The IUPAC name of 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide (CID 54153970) is 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide?
The canonical SMILES for 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide is [N-]=[N+]=CC(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide?
The InChIKey is OJSWEJZIDNWRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O5/c11-14-6-10(17)13-4-3-12-8-2-1-7(15(18)19)5-9(8)16(20)21/h1-2,5-6,12H,3-4H2,(H,13,17).
What are the key properties of 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide?
2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide has a molecular weight of 294.23 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N-[2-(2,4-dinitroanilino)ethyl]acetamide is sourced from PubChem (CID 54153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).