Chemical ID: 4386644

c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Br)C(F)(F)F)Cl
Chemical ID:
4386644
Name [?]:
2-(4-bromo-2-chloro-phenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Br)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H9BrCl2F3NO2/c16-8-1-4-13(12(18)5-8)24-7-14(23)22-9-2-3-11(17)10(6-9)15(19,20)21/h1-6H,7H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:14,1,2,13,16,5,10,15,6,4,3,17,12,8,20,19,24,18,21,22,23,7,9,11/E:(19,20,21)/rA:24nCCCCCCNCOCOCCCCCCClBrCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s4;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrCl2F3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.80616
Area:554.412
Solvation:-5.05414
Coulombic:-46.3252
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):5.59

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