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Chemical ID: 5692261
Chemical ID:
5692261
Name [?]:
2-[methyl-[(4-tert-butylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)CN(C)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C20H23F3N2O/c1-20(2,3)14-7-5-13(6-8-14)11-25(4)12-17(26)24-16-10-9-15(21)18(22)19(16)23/h5-10H,11-12H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,7,9,6,10,20,19,11,14,8,5,21,18,15,22,23,2,26,25,24,17,12,16/E:(1,2,3)(5,6)(7,8)/rA:26cCCCCCCCCCCCNCCCONCCCCCCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s12;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23F3N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.07481 |
Area: | 564.515 |
Solvation: | -5.03806 |
Coulombic: | -37.7824 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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