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Chemical ID: 7295769
Chemical ID:
7295769
Name [?]:
2-(2,3-dichlorophenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCC(=O)Nc2ccc(cc2)N3CCOCC3
InChi [?]:
InChI=1/C18H18Cl2N2O3/c19-15-2-1-3-16(18(15)20)25-12-17(23)21-13-4-6-14(7-5-13)22-8-10-24-11-9-22/h1-7H,8-12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,19,16,18,21,25,22,24,10,14,17,5,3,11,4,7,8,13,20,12,23,9/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCClClOCCONCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28838 |
Area: | 581.802 |
Solvation: | -6.25667 |
Coulombic: | -42.6369 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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