Chemical ID: 5382992

COc1cc(cc(c1OC)OC)CCC(=O)Nc2ccc(c(c2)C(F)(F)F)Br
Chemical ID:
5382992
Name [?]:
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
COc1cc(cc(c1OC)OC)CCC(=O)Nc2ccc(c(c2)C(F)(F)F)Br
InChi [?]:
InChI=1/C19H19BrF3NO4/c1-26-15-8-11(9-16(27-2)18(15)28-3)4-7-17(25)24-12-5-6-14(20)13(10-12)19(21,22)23/h5-6,8-10H,4,7H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,10,13,19,20,14,4,6,23,5,18,22,21,3,7,15,8,24,28,25,26,27,17,16,2,11,9/E:(1,2)(8,9)(15,16)(21,22,23)(26,27)/rA:28nCOCCCCCCOCOCCCCONCCCCCCCFFFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19BrF3NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.51949
Area:606.079
Solvation:-7.63249
Coulombic:-59.1876
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:462.258
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):4.53

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