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Chemical ID: 4363387
Chemical ID:
4363387
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(3-chloro-4-morpholino-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)N3CCOCC3)Cl
InChi [?]:
InChI=1/C19H20Cl2N2O3/c1-13-10-14(20)2-5-18(13)26-12-19(24)22-15-3-4-17(16(21)11-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,14,15,6,21,25,22,24,3,18,9,2,4,13,17,16,7,10,26,19,12,20,11,23,8/E:(6,7)(8,9)/rA:26nCCCCCCCOCCONCCCCCCClNCCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Cl2N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41254 |
Area: | 610.298 |
Solvation: | -5.84492 |
Coulombic: | -42.9121 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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