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Chemical ID: 5852494
Chemical ID:
5852494
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H11ClF3NO2/c16-13-7-6-10(8-12(13)15(17,18)19)20-14(21)9-22-11-4-2-1-3-5-11/h1-8H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,17,8,12,4,16,15,9,18,22,19,20,21,11,10,7/E:(2,3)(4,5)(17,18,19)/rA:22nCCCCCCOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55527 |
Area: | 491.833 |
Solvation: | -4.74055 |
Coulombic: | -46.8525 |
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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