2-amino-6-nitrobenzamide

C7H7N3O3 — CID 54407937

IUPAC2-amino-6-nitrobenzamide
SMILESNC(=O)c1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c8-4-2-1-3-5(10(12)13)6(4)7(9)11/h1-3H,8H2,(H2,9,11)
InChIKeyVSBVFLVLPDTKPJ-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-6-nitrobenzamide

2-amino-6-nitrobenzamide (PubChem CID 54407937) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2-amino-6-nitrobenzamide.

Molecular Properties

Compound Name2-amino-6-nitrobenzamide
PubChem CID54407937
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name2-amino-6-nitrobenzamide
SMILESNC(=O)c1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c8-4-2-1-3-5(10(12)13)6(4)7(9)11/h1-3H,8H2,(H2,9,11)
InChIKeyVSBVFLVLPDTKPJ-UHFFFAOYSA-N
XLogP0.28
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-nitrobenzamide?
The IUPAC name of 2-amino-6-nitrobenzamide (CID 54407937) is 2-amino-6-nitrobenzamide.
What is the SMILES notation for 2-amino-6-nitrobenzamide?
The canonical SMILES for 2-amino-6-nitrobenzamide is NC(=O)c1c(N)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-6-nitrobenzamide?
The InChIKey is VSBVFLVLPDTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-4-2-1-3-5(10(12)13)6(4)7(9)11/h1-3H,8H2,(H2,9,11).
What are the key properties of 2-amino-6-nitrobenzamide?
2-amino-6-nitrobenzamide has a molecular weight of 181.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-nitrobenzamide is sourced from PubChem (CID 54407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).