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Chemical ID: 5822004
Chemical ID:
5822004
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-10-5-11(2)7-13(6-10)24-9-16(23)22-12-3-4-15(18)14(8-12)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,14,15,3,7,5,18,9,2,4,13,6,17,16,10,19,23,20,21,22,12,11,8/E:(1,2)(6,7)(10,11)(19,20,21)/rA:24nCCCCCCCOCCONCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69943 |
Area: | 536.144 |
Solvation: | -4.70416 |
Coulombic: | -46.4655 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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