Chemical ID: 5822607

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
Chemical ID:
5822607
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H19ClF3NO2/c1-18(2,3)12-4-7-14(8-5-12)26-11-17(25)24-16-10-13(19(21,22)23)6-9-15(16)20/h4-10H,11H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,19,7,9,20,17,12,5,18,8,21,16,13,2,23,22,24,25,26,15,14,11/E:(1,2,3)(4,5)(7,8)(21,22,23)/rA:26nCCCCCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;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:9.99383
Area:576.866
Solvation:-4.42783
Coulombic:-48.5753
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):5.25

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