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Chemical ID: 6850487
Chemical ID:
6850487
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2,3-dimethylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1C)OCCCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H19ClF3NO2/c1-12-5-3-6-17(13(12)2)26-10-4-7-18(25)24-16-11-14(19(21,22)23)8-9-15(16)20/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,4,11,3,5,12,19,20,10,17,2,7,18,21,16,6,13,23,22,24,25,26,15,14,9/E:(21,22,23)/rA:26nCCCCCCCCOCCCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClF3NO2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.477 |
Area: | 584.964 |
Solvation: | -4.14707 |
Coulombic: | -46.9448 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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