Chemical ID: 4486384

CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
4486384
Name [?]:
4-tert-butyl-N-[4-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3NO/c1-17(2,3)13-6-4-12(5-7-13)16(23)22-15-10-8-14(9-11-15)18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,16,18,15,19,8,5,17,14,11,2,20,21,22,23,13,12/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(19,20,21)/rA:23nCCCCCCCCCCCONCCCCCCCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F3NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2555
Area:504.72
Solvation:-2.36252
Coulombic:-42.7515
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.337
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.73
LogP (Chemaxon):5.61

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