3,5-dinitrobenzamide;hydrochloride

C7H6ClN3O5 — CID 172864761

IUPAC3,5-dinitrobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O5.ClH/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15;/h1-3H,(H2,8,11);1H
InChIKeyZVKYGJSJVAUKAG-UHFFFAOYSA-N
MW247.59 g/mol
LogP1.02
Rot. Bonds3

About 3,5-dinitrobenzamide;hydrochloride

3,5-dinitrobenzamide;hydrochloride (PubChem CID 172864761) has the molecular formula C7H6ClN3O5 and a molecular weight of 247.59 g/mol. Its IUPAC name is 3,5-dinitrobenzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dinitrobenzamide;hydrochloride
PubChem CID172864761
Molecular FormulaC7H6ClN3O5
Molecular Weight247.59 g/mol
Exact Mass247.00
IUPAC Name3,5-dinitrobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O5.ClH/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15;/h1-3H,(H2,8,11);1H
InChIKeyZVKYGJSJVAUKAG-UHFFFAOYSA-N
XLogP1.02
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.59
LogP ≤ 51.02
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

(3-carbamoyl-5-nitrophenyl) acetate
CID 165120816
3-(2-cyanoethenyl)-5-nitrobenzamide
CID 169484216
3-(3-bromo-1,2-dihydroxypropyl)-5-nitrobenzamide
CID 171860886
3,5-dinitrobenzamide;triethoxy(propyl)silane
CID 158915248
cadmium(2+);5-nitrobenzene-1,3-dicarboxylate
CID 175010901
2-amino-1-(3,5-dinitrophenyl)ethanone
CID 165357748
3-(4-bromobut-1-ynyl)-5-nitrobenzamide
CID 170466965
3-nitro-5-(4-sulfanylbut-1-enyl)benzamide
CID 170479201
benzamide;3-nitrobenzoic acid
CID 139144379
sodium;3,5-dinitrobenzoic acid;hydride
CID 173208447
[amino-[3-[amino(dimethylazaniumylidene)methyl]-5-nitrophenyl]methylidene]-dimethylazanium
CID 7072769
3,5-dichloro-4-nitrobenzamide
CID 121228420

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitrobenzamide;hydrochloride?
The IUPAC name of 3,5-dinitrobenzamide;hydrochloride (CID 172864761) is 3,5-dinitrobenzamide;hydrochloride.
What is the SMILES notation for 3,5-dinitrobenzamide;hydrochloride?
The canonical SMILES for 3,5-dinitrobenzamide;hydrochloride is Cl.NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitrobenzamide;hydrochloride?
The InChIKey is ZVKYGJSJVAUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5.ClH/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15;/h1-3H,(H2,8,11);1H.
What are the key properties of 3,5-dinitrobenzamide;hydrochloride?
3,5-dinitrobenzamide;hydrochloride has a molecular weight of 247.59 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitrobenzamide;hydrochloride is sourced from PubChem (CID 172864761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).