2-amino-4,5-dinitrobenzamide

C7H6N4O5 — CID 119012907

IUPAC2-amino-4,5-dinitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N
InChIInChI=1S/C7H6N4O5/c8-4-2-6(11(15)16)5(10(13)14)1-3(4)7(9)12/h1-2H,8H2,(H2,9,12)
InChIKeyAUDLUKWNNCXXDI-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.18
Rot. Bonds3

About 2-amino-4,5-dinitrobenzamide

2-amino-4,5-dinitrobenzamide (PubChem CID 119012907) has the molecular formula C7H6N4O5 and a molecular weight of 226.15 g/mol. Its IUPAC name is 2-amino-4,5-dinitrobenzamide.

Molecular Properties

Compound Name2-amino-4,5-dinitrobenzamide
PubChem CID119012907
Molecular FormulaC7H6N4O5
Molecular Weight226.15 g/mol
Exact Mass226.03
IUPAC Name2-amino-4,5-dinitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N
InChIInChI=1S/C7H6N4O5/c8-4-2-6(11(15)16)5(10(13)14)1-3(4)7(9)12/h1-2H,8H2,(H2,9,12)
InChIKeyAUDLUKWNNCXXDI-UHFFFAOYSA-N
XLogP0.18
TPSA155.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
1-(2-amino-4-hydroxy-5-nitrophenyl)ethanone
CID 131568255
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
2,5-dimethyl-3-nitrobenzamide
CID 119008464
3-amino-4,5-dinitrobenzamide
CID 131501988
3-amino-2-methyl-5-nitrobenzamide
CID 19141
4-amino-2-fluoro-5-nitrobenzoate
CID 59785336
2-bromo-5-nitro-4-(trifluoromethyl)benzamide
CID 171003210

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dinitrobenzamide?
The IUPAC name of 2-amino-4,5-dinitrobenzamide (CID 119012907) is 2-amino-4,5-dinitrobenzamide.
What is the SMILES notation for 2-amino-4,5-dinitrobenzamide?
The canonical SMILES for 2-amino-4,5-dinitrobenzamide is NC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N.
What is the InChIKey of 2-amino-4,5-dinitrobenzamide?
The InChIKey is AUDLUKWNNCXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5/c8-4-2-6(11(15)16)5(10(13)14)1-3(4)7(9)12/h1-2H,8H2,(H2,9,12).
What are the key properties of 2-amino-4,5-dinitrobenzamide?
2-amino-4,5-dinitrobenzamide has a molecular weight of 226.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dinitrobenzamide is sourced from PubChem (CID 119012907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).