Chemical ID: 3957934

c1ccc(cc1)N(c2ccccc2)C(=O)CN3CCC(CC3)(c4cccc(c4)C(F)(F)F)O
Chemical ID:
3957934
Name [?]:
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-N,N-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CN3CCC(CC3)(c4cccc(c4)C(F)(F)F)O
InChi [?]:
InChI=1/C26H25F3N2O2/c27-26(28,29)21-9-7-8-20(18-21)25(33)14-16-30(17-15-25)19-24(32)31(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18,33H,14-17,19H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,25,24,26,3,5,9,13,19,21,18,22,28,16,23,27,4,8,14,20,29,30,31,32,17,7,15,33/E:(1,2)(3,4,5,6)(10,11,12,13)(14,15)(16,17)(22,23)(27,28,29)/rA:33nCCCCCCNCCCCCCCOCNCCCCCCCCCCCCFFFO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;s19;s20;s17s21;s20;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25F3N2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.8961
Area:658.712
Solvation:-4.57173
Coulombic:-59.611
Bond Count [?]
All:36
Single:26
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:454.484
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.64

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Descriptor Annotations

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