2-Chloro-N-(4-nitrophenyl)acetamide
Inhibitor information
- CovInDB Inhibitor
- CI000081
- Name
- 2-Chloro-N-(4-nitrophenyl)acetamide
- Molecular Formula
- C8H7ClN2O3
- Molecular Weight
- 214.6 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-(4-nitrophenyl)acetamide
- InChI
- InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
- InChI Key
- AZURFBCEYQYATI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1ccc([N+](=O)[O-])cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
214.6 g/mol
Computed by RDKit
- logP
-
1.9
Computed by ALOGPS
- logS
-
-3.01
Computed by ALOGPS
- Heavy Atom Count
-
14
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
-
3
Computed by RDKit
- Topological Polar Surface Area
-
72.24 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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