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Chemical ID: 5822465
Chemical ID:
5822465
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H19ClF3NO2/c1-18(2,3)12-4-7-14(8-5-12)26-11-17(25)24-13-6-9-16(20)15(10-13)19(21,22)23/h4-10H,11H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,17,7,9,18,21,12,5,16,8,20,19,13,2,22,26,23,24,25,15,14,11/E:(1,2,3)(4,5)(7,8)(21,22,23)/rA:26nCCCCCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClF3NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65561 |
Area: | 574.056 |
Solvation: | -4.69579 |
Coulombic: | -47.4929 |
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: | 6.04 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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