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Chemical ID: 7027485
Chemical ID:
7027485
Name [?]:
N,5-bis[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H11F6NO2/c20-18(21,22)12-4-1-3-11(9-12)15-7-8-16(28-15)17(27)26-14-6-2-5-13(10-14)19(23,24)25/h1-10H,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,22,20,12,13,4,24,3,5,23,19,11,14,16,7,25,8,9,10,26,27,28,18,17,15/E:(20,21,22)(23,24,25)/rA:28nCCCCCCCFFFCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11F6NO2 |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3239 |
Area: | 556.71 |
Solvation: | -3.5939 |
Coulombic: | -69.4333 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 399.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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