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Chemical ID: 7295312
Chemical ID:
7295312
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-2-(2-ethoxyphenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1OCC(=O)NCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2NO3/c1-2-22-15-5-3-4-6-16(15)23-11-17(21)20-10-12-7-8-13(18)9-14(12)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,8,17,18,20,15,11,16,19,21,4,9,12,23,22,14,13,3,10/rA:23nCCOCCCCCCOCCONCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO3 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34792 |
Area: | 580.252 |
Solvation: | -6.15839 |
Coulombic: | -37.0348 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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