4-bromo-2-fluoro-N-methylbenzamide
CAS No.：
Cat. No.: SC23443
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Product Name :4-bromo-2-fluoro-N-methylbenzamide
Cat. No.: :SC23443
Purity / Specification :—
CAS No. :749927-69-3
MDL No. :—
Molecular Formula :C8H7BrFNO
LogP :2.00
Molecular Weight :232.05
TPSA :29.1
Category :Building Blocks
HSN Code :—
SMILES Code :CNC(=O)c1ccc(Br)cc1F
Melting Point :—
InChI Key : :BAJCFNRLEJHPTQ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 232.1 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 29.1Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.