N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

CAS No.：

Cat. No.: SC251573

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Product Name :N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

Cat. No.: :SC251573

Purity / Specification :—

CAS No. :1488423-79-5

MDL No. :—

Molecular Formula :C₁₆H₁₃F₃INO₂

LogP :3.80

Molecular Weight :435.19

TPSA :49.3

Category :API Impurities

HSN Code :—

SMILES Code :CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CO)C(F)(F)F)I

Melting Point :—

InChI Key : :WTKDRCPLNMKWLK-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 435.2 Da

LogP ≤ 5✓ 3.80

HBD ≤ 5✓ 2

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

75/100

Good drug-like profile

Predicted LogP

3.80log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 49.3Å² · 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.