2-(2,4-dinitroanilino)-N-methylacetamide

C9H10N4O5 — CID 60647475

IUPAC2-(2,4-dinitroanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c1-10-9(14)5-11-7-3-2-6(12(15)16)4-8(7)13(17)18/h2-4,11H,5H2,1H3,(H,10,14)
InChIKeyOHNDXQZCCGGUCB-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.66
Rot. Bonds5

About 2-(2,4-dinitroanilino)-N-methylacetamide

2-(2,4-dinitroanilino)-N-methylacetamide (PubChem CID 60647475) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-(2,4-dinitroanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dinitroanilino)-N-methylacetamide
PubChem CID60647475
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name2-(2,4-dinitroanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c1-10-9(14)5-11-7-3-2-6(12(15)16)4-8(7)13(17)18/h2-4,11H,5H2,1H3,(H,10,14)
InChIKeyOHNDXQZCCGGUCB-UHFFFAOYSA-N
XLogP0.66
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
2-(2,4-dinitroanilino)acetate
CID 4738135
2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide
CID 55230798
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
(2S)-2-[[2-(2,4-dinitroanilino)acetyl]amino]-3-phenylpropanoic acid
CID 170439782
N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-(2,4-dinitroanilino)acetamide
CID 159150951
3-(2,4-dinitroanilino)-2,2-dimethylpropanoic acid
CID 115427614
diazomethanone;2-(2,4-dinitroanilino)acetic acid
CID 20833188
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
3-(2,4-dinitroanilino)-2-methylpropane-1,2-diol
CID 66169292

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitroanilino)-N-methylacetamide?
The IUPAC name of 2-(2,4-dinitroanilino)-N-methylacetamide (CID 60647475) is 2-(2,4-dinitroanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dinitroanilino)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dinitroanilino)-N-methylacetamide is CNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitroanilino)-N-methylacetamide?
The InChIKey is OHNDXQZCCGGUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-10-9(14)5-11-7-3-2-6(12(15)16)4-8(7)13(17)18/h2-4,11H,5H2,1H3,(H,10,14).
What are the key properties of 2-(2,4-dinitroanilino)-N-methylacetamide?
2-(2,4-dinitroanilino)-N-methylacetamide has a molecular weight of 254.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitroanilino)-N-methylacetamide is sourced from PubChem (CID 60647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).