Chemical ID: 5683981

CC(C)CNC(=O)COc1ccc2cc(ccc2c1)Br
Chemical ID:
5683981
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CNC(=O)COc1ccc2cc(ccc2c1)Br
InChi [?]:
InChI=1/C16H18BrNO2/c1-11(2)9-18-16(19)10-20-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,12,16,11,14,19,4,8,2,13,18,15,10,6,20,5,7,9/E:(1,2)/rA:20nCCCCNCOCOCCCCCCCCCCBr/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.90697
Area:506.15
Solvation:-3.74679
Coulombic:-30.0478
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.224
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):3.73

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