Chemical ID: 7168815

Cc1cc(nn1CC(C)C(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F
Chemical ID:
7168815
Name [?]:
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F
InChi [?]:
InChI=1/C19H26F3N3O/c1-10(9-25-11(2)3-16(24-25)19(20,21)22)18(26)23-17-14-5-12-4-13(7-14)8-15(17)6-12/h3,10,12-15,17H,4-9H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:9,1,3,17,15,22,19,20,7,8,2,16,18,14,21,4,13,10,23,24,25,26,12,5,6,11/E:(5,6,7,8)(12,13)(14,15)(20,21,22)/rA:26cCCCCNNCCCCONCCCCCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s18;s13s20;s16s21;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26F3N3O
All Atoms:52
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6758
Area:538.601
Solvation:-2.7892
Coulombic:-45.1011
Bond Count [?]
All:29
Single:26
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.425
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):3.33

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Descriptor Annotations

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