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Chemical ID: 5806667
Chemical ID:
5806667
Name [?]:
N-(4-ethoxyphenyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO2/c1-2-22-14-9-7-13(8-10-14)20-15(21)11-3-5-12(6-4-11)16(17,18)19/h3-10H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,6,8,5,9,13,16,7,4,11,19,20,21,22,10,12,3/E:(3,4)(5,6)(7,8)(9,10)(17,18,19)/rA:22nCCOCCCCCCNCOCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.29751 |
Area: | 488.034 |
Solvation: | -3.90334 |
Coulombic: | -48.1779 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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