CAS RN: 22312-61-4
2-AMINO-N-(3-CHLOROPHENYL)BENZAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22312-61-4
- Purity/Analytical Methods: >99.0%
22312-61-4 / 2-amino-N-(3-chlorophenyl)benzamide
Basic Information
CAS
22312-61-4
Multi CAS
No
Molecular Formula
C13H11ClN2O
Molecular Weight
246.690000
Exact Mass
246.055991
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)
InChIKey
PODFNAVRZPMCEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.26
TPSA
55.12
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.6
Consensus LogP
3.19
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 22312-75-0 2-[(CHLOROACETYL)AMINO]-N-(3-METHYLPHENYL)BENZAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22312-75-0.gif)
