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Chemical ID: 4279791
Chemical ID:
4279791
Name [?]:
N-(o-tolyl)-3-(2,2,2-trifluoroacetyl)amino-benzamide
SMILES [?]:
Cc1ccccc1NC(=O)c2cccc(c2)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C16H13F3N2O2/c1-10-5-2-3-8-13(10)21-14(22)11-6-4-7-12(9-11)20-15(23)16(17,18)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,3,12,14,6,16,2,11,15,7,9,18,20,21,22,23,17,8,10,19/E:(17,18,19)/rA:23nCCCCCCCNCOCCCCCCNCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13F3N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05624 |
Area: | 492.882 |
Solvation: | -3.26581 |
Coulombic: | -64.6146 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.282 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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