2-(3-amino-4-nitro-2-nitrosoanilino)acetamide

C8H9N5O4 — CID 145266315

IUPAC2-(3-amino-4-nitro-2-nitrosoanilino)acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1N=O
InChIInChI=1S/C8H9N5O4/c9-6(14)3-11-4-1-2-5(13(16)17)7(10)8(4)12-15/h1-2,11H,3,10H2,(H2,9,14)
InChIKeyTZIJVXONYOLBMV-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.47
Rot. Bonds5

About 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide

2-(3-amino-4-nitro-2-nitrosoanilino)acetamide (PubChem CID 145266315) has the molecular formula C8H9N5O4 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-nitro-2-nitrosoanilino)acetamide
PubChem CID145266315
Molecular FormulaC8H9N5O4
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2-(3-amino-4-nitro-2-nitrosoanilino)acetamide
SMILESNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1N=O
InChIInChI=1S/C8H9N5O4/c9-6(14)3-11-4-1-2-5(13(16)17)7(10)8(4)12-15/h1-2,11H,3,10H2,(H2,9,14)
InChIKeyTZIJVXONYOLBMV-UHFFFAOYSA-N
XLogP0.47
TPSA153.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
CID 103591433
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
N-(3-amino-2,4-dinitrophenyl)hydroxylamine
CID 4122102
2-(4-carbamoyl-2-nitroanilino)acetic acid
CID 43386338
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
2-(2,4-dinitroanilino)acetate
CID 4738135
1-(2,6-diamino-3-nitrophenyl)ethanone
CID 163623643
(3-amino-3-oxopropyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 18284930
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide?
The IUPAC name of 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide (CID 145266315) is 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide.
What is the SMILES notation for 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide?
The canonical SMILES for 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide is NC(=O)CNc1ccc([N+](=O)[O-])c(N)c1N=O.
What is the InChIKey of 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide?
The InChIKey is TZIJVXONYOLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4/c9-6(14)3-11-4-1-2-5(13(16)17)7(10)8(4)12-15/h1-2,11H,3,10H2,(H2,9,14).
What are the key properties of 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide?
2-(3-amino-4-nitro-2-nitrosoanilino)acetamide has a molecular weight of 239.19 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-nitro-2-nitrosoanilino)acetamide is sourced from PubChem (CID 145266315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).