4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

CAS No.：

Cat. No.: SC23444

Available on Request

Price on Request

Bulk Inquiry

Product Name :4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

Cat. No.: :SC23444

Purity / Specification :—

CAS No. :915087-26-2

MDL No. :MFCD09909370

Molecular Formula :C₁₃H₁₄FN₃O

LogP :1.80

Molecular Weight :247.27

TPSA :64.9

Category :Building Blocks

HSN Code :—

SMILES Code :CNC(=O)c1ccc(NC2(C#N)CCC2)cc1F

Melting Point :—

InChI Key : :AAIGLIMPDRXLFW-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✓ 247.3 Da

LogP ≤ 5✓ 1.80

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

86/100

Excellent drug-like profile

Predicted LogP

1.80log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.9Å² · 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.