N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-acetamide
Inhibitor information
- CovInDB Inhibitor
- CI005026
- Name
- N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-acetamide
- Molecular Formula
- C10H6ClF6NO
- Molecular Weight
- 305.0042108 g/mol
- Structure
-
- IUPAC Name
- N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-acetamide
- InChI
- InChI=1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)
- InChI Key
- LEYIUTOAQOUAFG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
305.0042108 g/mol
Computed by RDKit
- logP
-
3.641
Computed by ALOGPS
- logS
-
-4.533
Computed by ALOGPS
- Heavy Atom Count
-
19
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
targets
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reactivity
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