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Chemical ID: 7056020
Chemical ID:
7056020
Name [?]:
N-(3,4-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]-acetamide
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO4/c1-2-23-9-10-24-14-4-6-15(7-5-14)25-12-18(22)21-13-3-8-16(19)17(20)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,19,8,12,9,11,20,4,5,23,14,18,7,10,21,22,15,25,24,17,16,3,6,13/E:(4,5)(6,7)/rA:25nCCOCCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36289 |
Area: | 624.582 |
Solvation: | -7.25166 |
Coulombic: | -42.8487 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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