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Chemical ID: 4514733
Chemical ID:
4514733
Name [?]:
2-dimethylamino-N-[4-(2,4,5-trichlorophenoxy)phenyl]-acetamide
SMILES [?]:
CN(C)CC(=O)Nc1ccc(cc1)Oc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl3N2O2/c1-21(2)9-16(22)20-10-3-5-11(6-4-10)23-15-8-13(18)12(17)7-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,9,13,10,12,19,16,4,8,11,18,17,20,15,5,22,23,21,7,2,6,14/E:(1,2)(3,4)(5,6)/rA:23nCNCCCONCCCCCCOCCCCCCClClCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl3N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4279 |
Area: | 563.909 |
Solvation: | -3.66984 |
Coulombic: | -33.4531 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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