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CAS 53824-92-3 N-BENZYL-2-[(CHLOROACETYL)AMINO]BENZAMIDE molecular structure lightbox
CAS RN: 53824-92-3

N-BENZYL-2-[(CHLOROACETYL)AMINO]BENZAMIDE

  • Product code: SSC-161228
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53824-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

53824-92-3 / N-benzyl-2-[(2-chloroacetyl)amino]benzamide

Standard CAS: 53824-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53824-92-3
Multi CAS
No
Molecular Formula
C16H15CLN2O2
Molecular Weight
302.750000
Exact Mass
302.082205
InChI
InChI=1S/C16H15ClN2O2/c17-10-15(20)19-14-9-5-4-8-13(14)16(21)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKey
VRXUIZRKYOIVJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.4
TPSA
58.2

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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