3-chloro-N-(3-methoxyphenyl)propanamide
CAS No.：
Cat. No.: SC24661
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Product Name :3-chloro-N-(3-methoxyphenyl)propanamide
Cat. No.: :SC24661
Purity / Specification :—
CAS No. :21261-76-7
MDL No. :MFCD01351547
Molecular Formula :C10H12ClNO2
LogP :1.80
Molecular Weight :213.66
TPSA :38.3
Category :Scalable Synthesis
HSN Code :—
SMILES Code :COc1cccc(NC(=O)CCCl)c1
Melting Point :—
InChI Key : :QPTGURLLHGYZOA-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✓ 213.7 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.3Ų · 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.