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Chemical ID: 4150171
Chemical ID:
4150171
Name [?]:
2-(3-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H10Cl2F3NO2/c16-9-2-1-3-11(6-9)23-8-14(22)21-10-4-5-13(17)12(7-10)15(18,19)20/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,15,4,18,9,5,13,3,17,16,10,19,7,23,20,21,22,12,11,8/E:(18,19,20)/rA:23nCCCCCCClOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2F3NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48842 |
Area: | 527.375 |
Solvation: | -4.69594 |
Coulombic: | -46.731 |
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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