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Chemical ID: 7290310
Chemical ID:
7290310
Name [?]:
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C(=O)Nc2cc(ccc2OCCOC)C(F)(F)F)C
InChi [?]:
InChI=1/C19H20F3NO3/c1-12-4-5-13(2)15(10-12)18(24)23-16-11-14(19(20,21)22)6-7-17(16)26-9-8-25-3/h4-7,10-11H,8-9H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,21,3,4,14,15,19,18,7,12,2,5,13,6,11,16,8,22,23,24,25,10,9,20,17/E:(20,21,22)/rA:26nCCCCCCCCONCCCCCCOCCOCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s13;s22;s22;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20F3NO3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86294 |
Area: | 565.849 |
Solvation: | -5.28327 |
Coulombic: | -55.9956 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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