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Chemical ID: 4159980
Chemical ID:
4159980
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-2-11-4-3-5-13(8-11)24-10-16(23)22-15-9-12(17(19,20)21)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,17,18,8,15,10,3,16,7,19,14,11,21,20,22,23,24,13,12,9/E:(19,20,21)/rA:24nCCCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19433 |
Area: | 544.682 |
Solvation: | -4.42271 |
Coulombic: | -48.0938 |
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): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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