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Chemical ID: 5460663
Chemical ID:
5460663
Name [?]:
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(c(c3)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C20H15ClF3NO2/c1-11-3-4-12(2)16(9-11)25-19(26)18-8-7-17(27-18)13-5-6-15(21)14(10-13)20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,4,17,18,13,12,7,21,2,5,16,20,19,6,14,11,9,22,26,23,24,25,8,10,15/E:(22,23,24)/rA:27nCCCCCCCNCOCCCCOCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClF3NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3592 |
Area: | 574.825 |
Solvation: | -3.01147 |
Coulombic: | -50.421 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.787 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.86 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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