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Chemical ID: 4283072
Chemical ID:
4283072
Name [?]:
N-(2,4-difluorophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H13F2NO2/c1-10-3-2-4-12(7-10)20-9-15(19)18-14-6-5-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,14,7,17,9,2,16,6,18,13,10,20,19,12,11,8/rA:20nCCCCCCCOCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13F2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.41216 |
Area: | 457.044 |
Solvation: | -5.01393 |
Coulombic: | -35.6967 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.266 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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