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Chemical ID: 7298359
Chemical ID:
7298359
Name [?]:
2-(2-chloro-5-methyl-phenoxy)-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2cc(ccc2Cl)C
InChi [?]:
InChI=1/C17H18ClNO3/c1-3-21-15-7-5-4-6-14(15)19-17(20)11-22-16-10-12(2)8-9-13(16)18/h4-10H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,7,6,8,5,18,19,16,13,17,20,9,4,15,11,21,10,12,3,14/rA:22nCCOCCCCCCNCOCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59742 |
Area: | 537.484 |
Solvation: | -4.83968 |
Coulombic: | -37.2786 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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