2-amino-4-methoxy-5-nitrobenzamide

C8H9N3O4 — CID 131344074

IUPAC2-amino-4-methoxy-5-nitrobenzamide
SMILESCOc1cc(N)c(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-7-3-5(9)4(8(10)12)2-6(7)11(13)14/h2-3H,9H2,1H3,(H2,10,12)
InChIKeyGPMNBSFELMXSAY-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-4-methoxy-5-nitrobenzamide

2-amino-4-methoxy-5-nitrobenzamide (PubChem CID 131344074) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-amino-4-methoxy-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-5-nitrobenzamide
PubChem CID131344074
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-amino-4-methoxy-5-nitrobenzamide
SMILESCOc1cc(N)c(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-7-3-5(9)4(8(10)12)2-6(7)11(13)14/h2-3H,9H2,1H3,(H2,10,12)
InChIKeyGPMNBSFELMXSAY-UHFFFAOYSA-N
XLogP0.28
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-4,5-dinitrobenzamide
CID 119012907
sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539
4-amino-2-methoxy-5-nitrobenzenecarboximidamide
CID 163366548
ethyl 2,5-dimethoxy-4-nitrobenzoate
CID 53419339
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
nitro 2-amino-4,5-dimethoxybenzoate
CID 174871974
methyl 2-hydroxy-4-methoxy-5-nitrobenzoate
CID 71669123
methyl 2-hydroxy-5-methoxy-4-nitrobenzoate
CID 165356318
2-bromo-4-methoxy-5-nitrobenzoyl chloride
CID 171007108
2,4-dichloro-5-methoxy-3-nitrobenzamide
CID 175668713

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-5-nitrobenzamide?
The IUPAC name of 2-amino-4-methoxy-5-nitrobenzamide (CID 131344074) is 2-amino-4-methoxy-5-nitrobenzamide.
What is the SMILES notation for 2-amino-4-methoxy-5-nitrobenzamide?
The canonical SMILES for 2-amino-4-methoxy-5-nitrobenzamide is COc1cc(N)c(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-methoxy-5-nitrobenzamide?
The InChIKey is GPMNBSFELMXSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-15-7-3-5(9)4(8(10)12)2-6(7)11(13)14/h2-3H,9H2,1H3,(H2,10,12).
What are the key properties of 2-amino-4-methoxy-5-nitrobenzamide?
2-amino-4-methoxy-5-nitrobenzamide has a molecular weight of 211.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-5-nitrobenzamide is sourced from PubChem (CID 131344074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).