Chemical ID: 4161472

COc1ccc(cc1NC(=O)COc2ccccc2Br)Cl
Chemical ID:
4161472
Name [?]:
2-(2-bromophenoxy)-N-(5-chloro-2-methoxy-phenyl)-acetamide
SMILES [?]:
COc1ccc(cc1NC(=O)COc2ccccc2Br)Cl
InChi [?]:
InChI=1/C15H13BrClNO3/c1-20-14-7-6-10(17)8-12(14)18-15(19)9-21-13-5-3-2-4-11(13)16/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,4,7,12,6,19,8,14,3,10,20,21,9,11,2,13/rA:21nCOCCCCCCNCOCOCCCCCCBrCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrClNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.02783
Area:517.835
Solvation:-4.91804
Coulombic:-36.6808
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.625
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):3.93

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