Chemical ID: 4235002

CC(=O)c1ccc(cc1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
Chemical ID:
4235002
Name [?]:
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3NO3/c1-9(21)10-2-4-11(5-3-10)20-16(22)8-23-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,9,6,8,19,16,13,2,4,7,18,17,20,15,11,22,23,21,10,3,12,14/E:(2,3)(4,5)/rA:23nCCOCCCCCCNCOCOCCCCCCClClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.88167
Area:573.633
Solvation:-5.45916
Coulombic:-35.1896
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.63
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.38
LogP (Chemaxon):3.74

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Descriptor Annotations

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