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Chemical ID: 4156227
Chemical ID:
4156227
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-chloro-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)COc2ccc(cc2C)Cl)C
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-10-6-12(3)17(14(19)7-10)20-16(21)9-22-15-5-4-13(18)8-11(15)2/h4-8H,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,22,16,15,3,7,18,12,2,19,4,17,6,14,10,5,21,8,9,11,13/rA:22nCCCCCCCClNCOCOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63139 |
Area: | 546.155 |
Solvation: | -4.02248 |
Coulombic: | -29.2311 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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