Chemical ID: 4514733

CN(C)CC(=O)Nc1ccc(cc1)Oc2cc(c(cc2Cl)Cl)Cl
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

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Descriptor Annotations

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