Chemical ID: 4149821

c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Br
Chemical ID:
4149821
Name [?]:
2-(2-bromophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Br
InChi [?]:
InChI=1/C15H10BrClF3NO2/c16-10-3-1-2-4-13(10)23-8-14(22)21-12-7-9(15(18,19)20)5-6-11(12)17/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,13,8,14,4,17,12,5,9,19,23,18,20,21,22,11,10,7/E:(18,19,20)/rA:23nCCCCCCOCCONCCCCCCClCFFFBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;s19;s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrClF3NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.44487
Area:523.011
Solvation:-4.6304
Coulombic:-47.7563
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.597
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.42

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