4-bromo-N-methoxybenzamide

C8H8BrNO2 — CID 23268652

IUPAC4-bromo-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChIKeyCXDMEWKODALVDB-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.74
Rot. Bonds2

About 4-bromo-N-methoxybenzamide

4-bromo-N-methoxybenzamide (PubChem CID 23268652) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4-bromo-N-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-methoxybenzamide
PubChem CID23268652
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name4-bromo-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChIKeyCXDMEWKODALVDB-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxybenzamide?
The IUPAC name of 4-bromo-N-methoxybenzamide (CID 23268652) is 4-bromo-N-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-methoxybenzamide?
The canonical SMILES for 4-bromo-N-methoxybenzamide is CONC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methoxybenzamide?
The InChIKey is CXDMEWKODALVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11).
What are the key properties of 4-bromo-N-methoxybenzamide?
4-bromo-N-methoxybenzamide has a molecular weight of 230.06 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxybenzamide is sourced from PubChem (CID 23268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).