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Chemical ID: 4086099
Chemical ID:
4086099
Name [?]:
2-(2,4-dichlorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2ccc(cc2Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H10Cl2F3NO2/c16-10-4-5-13(12(17)7-10)23-8-14(22)21-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,4,16,10,3,15,5,17,12,8,20,19,18,21,22,23,7,9,11/E:(18,19,20)/rA:23nCCCCCCNCOCOCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2F3NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27307 |
Area: | 532.056 |
Solvation: | -5.02833 |
Coulombic: | -47.1645 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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