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Chemical ID: 5496280
Chemical ID:
5496280
Name [?]:
N-(3,4-difluorophenyl)-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C20H15F2NO2/c21-18-11-8-16(12-19(18)22)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,19,9,11,20,23,14,4,7,18,10,21,22,15,25,24,17,16,13/E:(2,3)(4,5)(6,7)(9,10)/rA:25nCCCCCCCCCCCCOCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5075 |
Area: | 542.3 |
Solvation: | -6.05 |
Coulombic: | -36.772 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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