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Chemical ID: 5848642
Chemical ID:
5848642
Name [?]:
N-[(4-chlorophenyl)methyl]adamantane-1-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)C23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C18H22ClNO/c19-16-3-1-12(2-4-16)11-20-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,17,19,16,12,20,7,6,15,13,18,3,9,11,21,8,10/E:(1,2)(3,4)(5,6,7)(8,9,10)(13,14,15)/rA:21nCCCCCCCNCOCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClNO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6513 |
Area: | 488.185 |
Solvation: | -1.55337 |
Coulombic: | -24.0892 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.826 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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