3-methoxy-4-nitrobenzamide

C8H8N2O4 — CID 11063338

IUPAC3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-14-7-4-5(8(9)11)2-3-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKeyHBEDVMJPLSCWPI-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.70
Rot. Bonds3

About 3-methoxy-4-nitrobenzamide

3-methoxy-4-nitrobenzamide (PubChem CID 11063338) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound Name3-methoxy-4-nitrobenzamide
PubChem CID11063338
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-14-7-4-5(8(9)11)2-3-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKeyHBEDVMJPLSCWPI-UHFFFAOYSA-N
XLogP0.70
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-nitrobenzamide?
The IUPAC name of 3-methoxy-4-nitrobenzamide (CID 11063338) is 3-methoxy-4-nitrobenzamide.
What is the SMILES notation for 3-methoxy-4-nitrobenzamide?
The canonical SMILES for 3-methoxy-4-nitrobenzamide is COc1cc(C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-4-nitrobenzamide?
The InChIKey is HBEDVMJPLSCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-7-4-5(8(9)11)2-3-6(7)10(12)13/h2-4H,1H3,(H2,9,11).
What are the key properties of 3-methoxy-4-nitrobenzamide?
3-methoxy-4-nitrobenzamide has a molecular weight of 196.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 11063338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).