2-Chloroacetanilide
Inhibitor information
- CovInDB Inhibitor
- CI000032
- Name
- 2-Chloroacetanilide
- Molecular Formula
- C8H8ClNO
- Molecular Weight
- 169.61 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-phenyl-acetamide
- InChI
- InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
- InChI Key
- VONWPEXRCLHKRJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
169.61 g/mol
Computed by RDKit
- logP
-
1.73
Computed by ALOGPS
- logS
-
-1.95
Computed by ALOGPS
- Heavy Atom Count
-
11
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 |
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