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Chemical ID: 4499736
Chemical ID:
4499736
Name [?]:
N-[1-(4-bromophenyl)ethyl]adamantane-1-carboxamide
SMILES [?]:
CC(c1ccc(cc1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H24BrNO/c1-12(16-2-4-17(20)5-3-16)21-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,8,5,7,16,19,21,18,14,22,2,17,15,20,3,6,11,13,9,10,12/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:22cCCCCCCCCBrNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24BrNO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.913 |
Area: | 497.466 |
Solvation: | -1.52365 |
Coulombic: | -23.9069 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.7 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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