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Chemical ID: 5718440
Chemical ID:
5718440
Name [?]:
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2OC(F)F
InChi [?]:
InChI=1/C17H17F2NO3/c1-2-12-7-9-13(10-8-12)22-11-16(21)20-14-5-3-4-6-15(14)23-17(18)19/h3-10,17H,2,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,4,8,5,7,10,3,6,14,19,11,21,22,23,13,12,9,20/E:(7,8)(9,10)(18,19)/rA:23nCCCCCCCCOCCONCCCCCCOCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F2NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.535 |
Area: | 515.968 |
Solvation: | -5.3642 |
Coulombic: | -49.2149 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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