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Chemical ID: 7357818
Chemical ID:
7357818
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]amino-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CNc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H14ClF3N2O/c1-10-4-2-3-5-14(10)22-15(23)9-21-11-6-7-13(17)12(8-11)16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,14,15,18,11,2,13,17,16,7,9,19,23,20,21,22,12,8,10/E:(18,19,20)/rA:23nCCCCCCCNCOCNCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClF3N2O |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46817 |
Area: | 513.563 |
Solvation: | -3.37089 |
Coulombic: | -51.3335 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.743 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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