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Chemical ID: 4348736
Chemical ID:
4348736
Name [?]:
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H10ClF6NO2/c17-11-1-3-13(4-2-11)26-8-14(25)24-12-6-9(15(18,19)20)5-10(7-12)16(21,22)23/h1-7H,8H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,13,17,8,14,16,3,12,6,9,22,18,26,23,24,25,19,20,21,11,10,7/E:(1,2)(3,4)(6,7)(9,10)(15,16)(18,19,20,21,22,23)/rA:26nCCCCCCOCCONCCCCCCCFFFCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s14;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClF6NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97809 |
Area: | 547.614 |
Solvation: | -5.71225 |
Coulombic: | -64.4042 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.699 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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