2-amino-5-(trifluoromethyl)benzamide
CAS No.：
Cat. No.: SC251064
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Product Name :2-amino-5-(trifluoromethyl)benzamide
Cat. No.: :SC251064
Purity / Specification :—
CAS No. :16499-54-0
MDL No. :MFCD03407460
Molecular Formula :C8H7F3N2O
LogP :1.60
Molecular Weight :204.15
TPSA :69.1
Category :CRO / Contract Research
HSN Code :—
SMILES Code :NC(=O)c1cc(C(F)(F)F)ccc1N
Melting Point :—
InChI Key : :MOKMVZDIJPORMZ-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✓ 204.2 Da
LogP ≤ 5✓ 1.60
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i78/100
Good drug-like profile
Predicted LogP
i1.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 69.1Ų · 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.