Chemical ID: 4526289

c1cc(c(cc1Br)Br)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
4526289
Name [?]:
N-(2,4-dibromophenyl)adamantane-1-carboxamide
SMILES [?]:
c1cc(c(cc1Br)Br)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H19Br2NO/c18-13-1-2-15(14(19)6-13)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,15,18,20,5,17,13,21,16,14,19,6,4,3,10,12,7,8,9,11/E:(3,4,5)(7,8,9)(10,11,12)/rA:21nCCCCCCBrBrNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19Br2NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.6054
Area:473.905
Solvation:-1.24223
Coulombic:-22.6956
Bond Count [?]
All:24
Single:20
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:413.147
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.83
LogP (Chemaxon):4.83

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Descriptor Annotations

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