Chemical ID: 7169022

Cc1c(c(nn1CCC(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F)Cl
Chemical ID:
7169022
Name [?]:
N-(2-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1c(c(nn1CCC(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C18H23ClF3N3O/c1-9-15(19)17(18(20,21)22)24-25(9)3-2-14(26)23-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16H,2-8H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,8,7,16,14,21,18,19,2,15,17,13,20,9,3,12,4,22,26,23,24,25,11,5,6,10/E:(5,6,7,8)(10,11)(12,13)(20,21,22)/rA:26nCCCCNNCCCONCCCCCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;s4;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClF3N3O
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0741
Area:551.147
Solvation:-2.70459
Coulombic:-44.8618
Bond Count [?]
All:29
Single:26
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.843
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):3.28

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Descriptor Annotations

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