2-Chloro-N-(4-fluorophenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI000121
- Name
- 2-Chloro-N-(4-fluorophenyl)acetamide
- Molecular Formula
- C8H7ClFNO
- Molecular Weight
- 187.6 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-(4-fluorophenyl)acetamide
- InChI
- InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
- InChI Key
- JDAWWCJBFPBHFL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1ccc(F)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
187.6 g/mol
Computed by RDKit
- logP
-
2
Computed by ALOGPS
- logS
-
-2.23
Computed by ALOGPS
- Heavy Atom Count
-
12
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
29.1 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|