ChemDB: Chemical Search
Download
Chemical ID: 7264113
Chemical ID:
7264113
Name [?]:
3-methyl-N-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]ethyl]benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCCC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C18H17F3N2O2/c1-12-3-2-4-13(11-12)17(25)22-10-9-16(24)23-15-7-5-14(6-8-15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,20,17,21,12,11,7,2,6,19,16,13,8,22,23,24,25,10,15,14,9/E:(5,6)(7,8)(19,20,21)/rA:25nCCCCCCCCONCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17F3N2O2 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93086 |
Area: | 555.875 |
Solvation: | -3.96601 |
Coulombic: | -61.034 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.335 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.56 |
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 |
---|