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Chemical ID: 4462722
Chemical ID:
4462722
Name [?]:
2-(2,4-dichloro-3,5-dimethyl-phenoxy)-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1Cl)C)Cl)OCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H17Cl2NO3/c1-10-8-14(17(19)11(2)16(10)18)23-9-15(21)20-12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,23,17,21,18,20,3,12,2,6,16,19,4,13,7,5,8,10,15,14,22,11/E:(4,5)(6,7)/rA:23nCCCCCCCClCClOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39755 |
Area: | 553.169 |
Solvation: | -5.43167 |
Coulombic: | -35.4515 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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