2-chloro-N-(3,5-dimethoxyphenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI005027
- Name
- 2-chloro-N-(3,5-dimethoxyphenyl)acetamide
- Molecular Formula
- C10H12ClNO3
- Molecular Weight
- 229.0505709 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-(3,5-dimethoxyphenyl)acetamide
- InChI
- InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
- InChI Key
- OAFXUKHPQCSRPT-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(NC(=O)CCl)cc(OC)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
229.0505709 g/mol
Computed by RDKit
- logP
-
2.168
Computed by ALOGPS
- logS
-
-2.771
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
47.56 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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