2-Chloro-N-(4-methylphenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI000040
- Name
- 2-Chloro-N-(4-methylphenyl)acetamide
- Molecular Formula
- C9H10ClNO
- Molecular Weight
- 183.63 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-(p-tolyl)acetamide
- InChI
- InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
- InChI Key
- CITIOELQTFSEGI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(NC(=O)CCl)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
183.63 g/mol
Computed by RDKit
- logP
-
1.87
Computed by ALOGPS
- logS
-
-2.55
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 |
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