Chemical ID: 6377346

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4cccnc4Cl
Chemical ID:
6377346
Name [?]:
N-[1-(1-adamantyl)ethyl]-2-chloro-pyridine-3-carboxamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4cccnc4Cl
InChi [?]:
InChI=1/C18H23ClN2O/c1-11(21-17(22)15-3-2-4-20-16(15)19)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,6,9,11,8,4,12,2,7,5,10,16,21,14,3,22,20,13,15/E:(5,6,7)(8,9,10)(12,13,14)/rA:22cCCCCCCCCCCCCNCOCCCCNCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.0279
Area:482.957
Solvation:-2.046
Coulombic:-28.586
Bond Count [?]
All:25
Single:21
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.841
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):3.32

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