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Chemical ID: 7028957
Chemical ID:
7028957
Name [?]:
N-(2,6-dimethylphenyl)-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2ccc(o2)c3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C20H16F3NO2/c1-12-5-3-6-13(2)18(12)24-19(25)17-10-9-16(26-17)14-7-4-8-15(11-14)20(21,22)23/h3-11H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,4,18,3,5,17,19,13,12,21,2,6,16,20,14,11,7,9,22,23,24,25,8,10,15/E:(1,2)(5,6)(12,13)(21,22,23)/rA:26nCCCCCCCNCOCCCCOCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16F3NO2 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5935 |
Area: | 544.26 |
Solvation: | -3.01304 |
Coulombic: | -50.9616 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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