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Chemical ID: 7309833
Chemical ID:
7309833
Name [?]:
2-(3,4-dichlorophenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)COc2ccc(c(c2)Cl)Cl)N3CCOCC3
InChi [?]:
InChI=1/C18H18Cl2N2O3/c19-16-6-5-15(11-17(16)20)25-12-18(23)21-13-1-3-14(4-2-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,21,25,22,24,17,10,6,3,12,15,16,8,19,18,7,20,9,23,11/E:(1,2)(3,4)(7,8)(9,10)/rA:25nCCCCCCNCOCOCCCCCCClClNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s3;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67392 |
Area: | 587.606 |
Solvation: | -6.01623 |
Coulombic: | -42.3615 |
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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