Chemical ID: 4748267

c1cc(cc(c1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl)C(F)(F)F
Chemical ID:
4748267
Name [?]:
2-(2,4,5-trichlorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H9Cl3F3NO2/c16-10-5-12(18)13(6-11(10)17)24-7-14(23)22-9-3-1-2-8(4-9)15(19,20)21/h1-6H,7H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,16,13,10,3,5,15,14,17,12,8,21,19,20,18,22,23,24,7,9,11/E:(19,20,21)/rA:24nCCCCCCNCOCOCCCCCCClClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3F3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.89119
Area:559.615
Solvation:-5.09917
Coulombic:-46.7471
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.591
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.47
LogP (Chemaxon):5.31

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