Chemical ID: 7291909

CN(C)C(=O)COc1ccc(cc1)C(=O)C=Cc2cc(ccc2F)Br
Chemical ID:
7291909
Name [?]:
2-[4-[3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]phenoxy]-N,N-dimethyl-acetamide
SMILES [?]:
CN(C)C(=O)COc1ccc(cc1)C(=O)C=Cc2cc(ccc2F)Br
InChi [?]:
InChI=1/C19H17BrFNO3/c1-22(2)19(24)12-25-16-7-3-13(4-8-16)18(23)10-5-14-11-15(20)6-9-17(14)21/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,12,17,21,9,13,22,16,19,6,11,18,20,8,23,14,4,25,24,2,15,5,7/E:(1,2)(3,4)(7,8)/rA:25nCNCCOCOCCCCCCCOCCCCCCCCFBr/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrFNO3
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.72756
Area:592.283
Solvation:-6.07952
Coulombic:-36.4922
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:406.246
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):3.86

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