Chemical ID: 5325833

c1ccc(c(c1)NC(=O)CC23CC4CC(C2)CC(C4)C3)Br
Chemical ID:
5325833
Name [?]:
2-(1-adamantyl)-N-(2-bromophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CC23CC4CC(C2)CC(C4)C3)Br
InChi [?]:
InChI=1/C18H22BrNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,17,19,16,12,20,10,15,13,18,4,5,8,11,21,7,9/E:(5,6,7)(8,9,10)(12,13,14)/rA:21nCCCCCCNCOCCCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1175
Area:461.424
Solvation:-1.41815
Coulombic:-22.3618
Bond Count [?]
All:24
Single:20
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.277
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.22
LogP (Chemaxon):3.97

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