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Chemical ID: 6550783
Chemical ID:
6550783
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-fluorophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)F
InChi [?]:
InChI=1/C15H10ClF4NO2/c16-11-6-5-9(7-10(11)15(18,19)20)21-14(22)8-23-13-4-2-1-3-12(13)17/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,14,17,8,12,16,15,4,5,9,18,22,23,19,20,21,11,10,7/E:(18,19,20)/rA:23nCCCCCCOCCONCCCCCCCFFFClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClF4NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27608 |
Area: | 498.616 |
Solvation: | -6.18932 |
Coulombic: | -49.9471 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.692 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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