Chemical ID: 4988831

c1ccc(cc1)CNC(=O)COc2cc(c(cc2Cl)Cl)Cl
Chemical ID:
4988831
Name [?]:
N-benzyl-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c16-11-6-13(18)14(7-12(11)17)21-9-15(20)19-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,14,7,11,4,16,15,18,13,9,20,21,19,8,10,12/E:(2,3)(4,5)/rA:21nCCCCCCCNCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl3NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.427
Area:547.163
Solvation:-4.25207
Coulombic:-30.1362
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.619
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):4.05

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Descriptor Annotations

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