2-chloro-N,N-diphenylacetamide
CAS No.：
Cat. No.: SC23372
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-chloro-N,N-diphenylacetamide
Cat. No.: :SC23372
Purity / Specification :—
CAS No. :5428-43-3
MDL No. :MFCD00435290
Molecular Formula :C14H12ClNO
LogP :3.30
Molecular Weight :245.71
TPSA :20.3
Category :Scalable Synthesis
HSN Code :—
SMILES Code :O=C(CCl)N(c1ccccc1)c1ccccc1
Melting Point :—
InChI Key : :GRIXINIGTYIHSN-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✓ 245.7 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 20.3Ų · 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.