Chemical ID: 4473076

c1cc(c(cc1C(F)(F)F)NC(=O)COc2ccc(cc2Br)Cl)Cl
Chemical ID:
4473076
Name [?]:
2-(2-bromo-4-chloro-phenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=O)COc2ccc(cc2Br)Cl)Cl
InChi [?]:
InChI=1/C15H9BrCl2F3NO2/c16-10-6-9(17)2-4-13(10)24-7-14(23)22-12-5-8(15(19,20)21)1-3-11(12)18/h1-6H,7H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,5,20,14,6,19,21,3,4,16,12,7,22,23,24,8,9,10,11,13,15/E:(19,20,21)/rA:24nCCCCCCCFFFNCOCOCCCCCCBrClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrCl2F3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.21074
Area:559.218
Solvation:-4.7697
Coulombic:-47.3267
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:443.042
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.64
LogP (Chemaxon):4.94

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