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Chemical ID: 5721198
Chemical ID:
5721198
Name [?]:
2-(2,5-dichlorophenoxy)-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)COc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C16H16Cl2N2O2/c1-20(2)13-6-4-12(5-7-13)19-16(21)10-22-15-9-11(17)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,6,8,5,9,19,16,13,17,7,4,20,15,11,22,21,10,2,12,14/E:(1,2)(4,5)(6,7)/rA:22nCNCCCCCCCNCOCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16Cl2N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0135 |
Area: | 551.829 |
Solvation: | -4.78223 |
Coulombic: | -34.4325 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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