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Chemical ID: 7257445
Chemical ID:
7257445
Name [?]:
N-(2,6-diethylphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)F)CC
InChi [?]:
InChI=1/C25H24FNO3/c1-3-17-6-5-7-18(4-2)24(17)27-23(28)16-30-22-14-10-20(11-15-22)25(29)19-8-12-21(26)13-9-19/h5-15H,3-4,16H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,5,4,6,23,27,16,18,24,26,15,19,12,3,7,22,17,25,14,10,8,20,28,9,11,21,13/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)/rA:30nCCCCCCCCNCOCOCCCCCCCOCCCCCCFCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;s7;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24FNO3 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83622 |
Area: | 644.159 |
Solvation: | -6.26777 |
Coulombic: | -41.8079 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 405.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.77 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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