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Chemical ID: 6670301
Chemical ID:
6670301
Name [?]:
2-(2-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H11ClF3NO2/c16-12-6-1-2-7-13(12)22-9-14(21)20-11-5-3-4-10(8-11)15(17,18)19/h1-8H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,14,15,13,3,6,17,8,16,12,4,5,9,18,22,19,20,21,11,10,7/E:(17,18,19)/rA:22nCCCCCCOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45784 |
Area: | 496.108 |
Solvation: | -4.94487 |
Coulombic: | -47.5865 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.701 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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