2-Propenamide, N-[4-(trifluoromethyl)phenyl]-

Inhibitor information

CovInDB Inhibitor
CI000645
Name
2-Propenamide, N-[4-(trifluoromethyl)phenyl]-
Molecular Formula
C10H8F3NO
Molecular Weight
215.17 g/mol
Structure
2D structure
IUPAC Name
N-[4-(trifluoromethyl)phenyl]prop-2-enamide
InChI
InChI=1S/C10H8F3NO/c1-2-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h2-6H,1H2,(H,14,15)
InChI Key
ZPVTVYQBEBQWPK-UHFFFAOYSA-N
Canonical SMILES
C=CC(=O)Nc1ccc(C(F)(F)F)cc1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

215.17 g/mol

Computed by RDKit

logP

2.47

Computed by ALOGPS

logS

-3.71

Computed by ALOGPS

Heavy Atom Count

15

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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