Chemical ID: 5848642

c1cc(ccc1CNC(=O)C23CC4CC(C2)CC(C4)C3)Cl
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

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Descriptor Annotations

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