ChemDB: Chemical Search
Download
Chemical ID: 5526816
Chemical ID:
5526816
Name [?]:
3-acetamido-N-[4-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(=O)NCCC(=O)Nc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H13F3N2O2/c1-8(18)16-7-6-11(19)17-10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,6,5,2,13,10,7,16,17,18,19,4,9,3,8/E:(2,3)(4,5)(13,14,15)/rA:19nCCONCCCONCCCCCCCFFF/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13F3N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16743 |
Area: | 451.683 |
Solvation: | -4.12463 |
Coulombic: | -57.3096 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.239 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.36 |
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 |
---|