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Chemical ID: 6306630
Chemical ID:
6306630
Name [?]:
N-(3,4-difluorophenyl)-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C16H15F2NO2/c1-10-4-3-5-15(11(10)2)21-9-16(20)19-12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,15,16,19,10,2,7,14,17,18,6,11,21,20,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24604 |
Area: | 474.258 |
Solvation: | -5.6104 |
Coulombic: | -35.1616 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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