Chemical ID: 6850584

CC(C(=O)Nc1cccc(c1)Br)Oc2ccc(cc2)c3ccccc3
Chemical ID:
6850584
Name [?]:
N-(3-bromophenyl)-2-(4-phenylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1cccc(c1)Br)Oc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C21H18BrNO2/c1-15(21(24)23-19-9-5-8-18(22)14-19)25-20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-15H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,8,21,25,9,7,16,18,15,19,11,2,20,17,10,6,14,3,12,5,4,13/E:(3,4)(6,7)(10,11)(12,13)/rA:25cCCCONCCCCCCBrOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s2;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18BrNO2
All Atoms:43
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4534
Area:573.236
Solvation:-3.87751
Coulombic:-31.7142
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.277
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.94
LogP (Chemaxon):5.89

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