3,5-dinitrobenzamide

C7H5N3O5 — CID 4511

IUPAC3,5-dinitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
InChIKeyUUKWKUSGGZNXGA-UHFFFAOYSA-N
MW211.13 g/mol
LogP0.60
Rot. Bonds3

About 3,5-dinitrobenzamide

3,5-dinitrobenzamide (PubChem CID 4511) has the molecular formula C7H5N3O5 and a molecular weight of 211.13 g/mol. Its IUPAC name is 3,5-dinitrobenzamide.

Molecular Properties

Compound Name3,5-dinitrobenzamide
PubChem CID4511
Molecular FormulaC7H5N3O5
Molecular Weight211.13 g/mol
Exact Mass211.02
IUPAC Name3,5-dinitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
InChIKeyUUKWKUSGGZNXGA-UHFFFAOYSA-N
XLogP0.60
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dinitrobenzamide?
The IUPAC name of 3,5-dinitrobenzamide (CID 4511) is 3,5-dinitrobenzamide.
What is the SMILES notation for 3,5-dinitrobenzamide?
The canonical SMILES for 3,5-dinitrobenzamide is NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitrobenzamide?
The InChIKey is UUKWKUSGGZNXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11).
What are the key properties of 3,5-dinitrobenzamide?
3,5-dinitrobenzamide has a molecular weight of 211.13 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitrobenzamide is sourced from PubChem (CID 4511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).