ChemDB: Chemical Search
Download
Chemical ID: 7273278
Chemical ID:
7273278
Name [?]:
N-(m-tolyl)-2-[4-(trifluoromethyl)phenyl]amino-acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CNc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C16H15F3N2O/c1-11-3-2-4-14(9-11)21-15(22)10-20-13-7-5-12(6-8-13)16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,17,14,18,7,11,2,16,13,6,9,19,20,21,22,12,8,10/E:(5,6)(7,8)(17,18,19)/rA:22nCCCCCCCNCOCNCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F3N2O |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05335 |
Area: | 493.169 |
Solvation: | -3.27586 |
Coulombic: | -51.9386 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.298 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.05 |
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 |
---|