2,3-dinitrobenzamide

C7H5N3O5 — CID 606817

IUPAC2,3-dinitrobenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O5/c8-7(11)4-2-1-3-5(9(12)13)6(4)10(14)15/h1-3H,(H2,8,11)
InChIKeyKIMCGLHTSSZPNS-UHFFFAOYSA-N
MW211.13 g/mol
LogP0.60
Rot. Bonds3

About 2,3-dinitrobenzamide

2,3-dinitrobenzamide (PubChem CID 606817) has the molecular formula C7H5N3O5 and a molecular weight of 211.13 g/mol. Its IUPAC name is 2,3-dinitrobenzamide.

Molecular Properties

Compound Name2,3-dinitrobenzamide
PubChem CID606817
Molecular FormulaC7H5N3O5
Molecular Weight211.13 g/mol
Exact Mass211.02
IUPAC Name2,3-dinitrobenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O5/c8-7(11)4-2-1-3-5(9(12)13)6(4)10(14)15/h1-3H,(H2,8,11)
InChIKeyKIMCGLHTSSZPNS-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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Related Compounds

Iniparib
CID 9796068
3,5-Dinitrobenzamide
CID 4511
3-Nitrobenzamide
CID 12576
2-Nitrobenzamide
CID 11876
o-Nitrobenzohydrazide
CID 3781218
Benzamide, 2-amino-3,5-dinitro-
CID 198148
2-Aminobenzohydroxamic acid
CID 79721
3-Nitrosobenzamide
CID 1679
2-Nitrobenzenecarbohydroxamic acid
CID 10940975
2-Amino-5-nitrobenzamide
CID 97665
m-Nitrobenzoyl azide
CID 137973
Benzamide, N-hydroxy-3-nitro-
CID 4435105

Frequently Asked Questions

What is the IUPAC name of 2,3-dinitrobenzamide?
The IUPAC name of 2,3-dinitrobenzamide (CID 606817) is 2,3-dinitrobenzamide.
What is the SMILES notation for 2,3-dinitrobenzamide?
The canonical SMILES for 2,3-dinitrobenzamide is NC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitrobenzamide?
The InChIKey is KIMCGLHTSSZPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5/c8-7(11)4-2-1-3-5(9(12)13)6(4)10(14)15/h1-3H,(H2,8,11).
What are the key properties of 2,3-dinitrobenzamide?
2,3-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 2,3-dinitrobenzamide is sourced from PubChem (CID 606817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).