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Chemical ID: 7417943
Chemical ID:
7417943
Name [?]:
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethyl-phenoxy)-acetamide
SMILES [?]:
Cc1c(c(c(c(c1Cl)OCC(=O)Nc2ccc(cc2)NC(=O)C)Cl)C)Cl
InChi [?]:
InChI=1/C18H17Cl3N2O3/c1-9-15(19)10(2)17(21)18(16(9)20)26-8-14(25)23-13-6-4-12(5-7-13)22-11(3)24/h4-7H,8H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,23,16,18,15,19,10,2,4,21,17,14,11,3,7,5,6,26,8,24,20,13,22,12,9/E:(1,2)(4,5)(6,7)(9,10)(16,17)(20,21)/rA:26nCCCCCCCClOCCONCCCCCCNCOCClCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl3N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0669 |
Area: | 613.014 |
Solvation: | -5.25849 |
Coulombic: | -47.347 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.697 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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