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Chemical ID: 4748267
Chemical ID:
4748267
Name [?]:
2-(2,4,5-trichlorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H9Cl3F3NO2/c16-10-5-12(18)13(6-11(10)17)24-7-14(23)22-9-3-1-2-8(4-9)15(19,20)21/h1-6H,7H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,16,13,10,3,5,15,14,17,12,8,21,19,20,18,22,23,24,7,9,11/E:(19,20,21)/rA:24nCCCCCCNCOCOCCCCCCClClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl3F3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89119 |
Area: | 559.615 |
Solvation: | -5.09917 |
Coulombic: | -46.7471 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 398.591 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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