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Chemical ID: 4386644
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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