Chemical ID: 5645342

c1cc(cc2c1cc(cc2)Br)OCC(=O)NC3CCCCC3
Chemical ID:
5645342
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc2c1cc(cc2)Br)OCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C18H20BrNO2/c19-15-8-6-14-11-17(9-7-13(14)10-15)22-12-18(21)20-16-4-2-1-3-5-16/h6-11,16H,1-5,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,18,22,10,1,9,2,7,4,13,6,5,8,17,3,14,11,16,15,12/E:(2,3)(4,5)/rA:22nCCCCCCCCCCBrOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s8;s3;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20BrNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.43089
Area:526.632
Solvation:-3.73491
Coulombic:-30.1826
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):4.1

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