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Chemical ID: 4486384
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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