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Chemical ID: 7028982
Chemical ID:
7028982
Name [?]:
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO3/c1-12(25)13-5-7-16(8-6-13)24-19(26)18-10-9-17(27-18)14-3-2-4-15(11-14)20(21,22)23/h2-11H,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,5,9,6,8,15,14,23,2,4,18,22,7,16,13,11,24,25,26,27,10,3,12,17/E:(5,6)(7,8)(21,22,23)/rA:27nCCOCCCCCCNCOCCCCOCCCCCCCFFF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14F3NO3 |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2029 |
Area: | 569.835 |
Solvation: | -4.04295 |
Coulombic: | -57.7724 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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