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Chemical ID: 5282445
Chemical ID:
5282445
Name [?]:
N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2ccc(o2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H15F3N2O3/c1-12(26)24-15-5-7-16(8-6-15)25-19(27)18-10-9-17(28-18)13-3-2-4-14(11-13)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,6,10,7,9,16,15,24,2,19,23,5,8,17,14,12,25,26,27,28,4,11,3,13,18/E:(5,6)(7,8)(21,22,23)/rA:28nCCONCCCCCCNCOCCCCOCCCCCCCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F3N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.333 |
Area: | 587.484 |
Solvation: | -4.35406 |
Coulombic: | -68.8034 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.34 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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