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Chemical ID: 5837928
Chemical ID:
5837928
Name [?]:
4-(2,2-dimethylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C19H19F3N2O2/c1-18(2,3)17(26)24-14-9-7-12(8-10-14)16(25)23-15-6-4-5-13(11-15)19(20,21)22/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,20,18,10,12,9,13,22,11,21,8,17,14,5,2,23,24,25,26,16,7,15,6/E:(1,2,3)(7,8)(9,10)(20,21,22)/rA:26nCCCCCONCCCCCCCONCCCCCCCFFF/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19F3N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3167 |
Area: | 556.172 |
Solvation: | -3.58765 |
Coulombic: | -61.3971 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.92 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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