ChemDB: Chemical Search
Download
Chemical ID: 5325833
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|