ChemDB: Chemical Search
Download
Chemical ID: 4175671
Chemical ID:
4175671
Name [?]:
2-phenyl-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NO/c16-15(17,18)12-8-4-5-9-13(12)19-14(20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,3,5,15,12,7,4,16,11,8,17,18,19,20,10,9/E:(2,3)(6,7)(16,17,18)/rA:20nCCCCCCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24766 |
Area: | 437.018 |
Solvation: | -2.67779 |
Coulombic: | -40.7106 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|