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Chemical ID: 7301491
Chemical ID:
7301491
Name [?]:
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-fluorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1C(=O)c2ccc(cc2)F)OCC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C21H15F2NO3/c22-16-5-1-14(2-6-16)21(26)15-3-11-19(12-4-15)27-13-20(25)24-18-9-7-17(23)8-10-18/h1-12H,13H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:10,14,1,5,11,13,23,25,22,26,2,4,17,9,6,12,24,21,3,18,7,15,27,20,19,8,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCOCCCCCCFOCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s3;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F2NO3 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53585 |
Area: | 570.693 |
Solvation: | -6.73147 |
Coulombic: | -44.6202 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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