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Chemical ID: 6943018
Chemical ID:
6943018
Name [?]:
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccc(cc2C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-2-11-3-6-13(7-4-11)24-10-16(23)22-15-8-5-12(18)9-14(15)17(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,16,5,7,15,18,10,3,17,6,19,14,11,20,24,21,22,23,13,12,9/E:(3,4)(6,7)(19,20,21)/rA:24nCCCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NO2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29006 |
Area: | 542.432 |
Solvation: | -4.27074 |
Coulombic: | -47.7761 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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