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Chemical ID: 7298680
Chemical ID:
7298680
Name [?]:
2-(4-acetyl-2-methoxy-phenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILES [?]:
CC(=O)c1ccc(c(c1)OC)OCC(=O)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H18ClNO4/c1-12(21)14-6-7-16(17(9-14)23-2)24-11-18(22)20-10-13-4-3-5-15(19)8-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,11,20,19,21,5,6,23,9,17,13,2,18,4,22,7,8,14,24,16,3,15,10,12/rA:24nCCOCCCCCCOCOCCONCCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12221 |
Area: | 580.554 |
Solvation: | -7.39163 |
Coulombic: | -42.8521 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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