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Chemical ID: 4152348
Chemical ID:
4152348
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H19ClF3NO2/c1-11(2)15-6-5-14(8-12(15)3)26-10-18(25)24-17-9-13(19(21,22)23)4-7-16(17)20/h4-9,11H,10H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:9,10,1,19,5,6,20,3,17,12,8,2,18,4,7,21,16,13,23,22,24,25,26,15,14,11/E:(1,2)(21,22,23)/rA:26nCCCCCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClF3NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.069 |
Area: | 581.031 |
Solvation: | -4.45682 |
Coulombic: | -48.1282 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.06 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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