Chemical ID: 7417943

Cc1c(c(c(c(c1Cl)OCC(=O)Nc2ccc(cc2)NC(=O)C)Cl)C)Cl
Chemical ID:
7417943
Name [?]:
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethyl-phenoxy)-acetamide
SMILES [?]:
Cc1c(c(c(c(c1Cl)OCC(=O)Nc2ccc(cc2)NC(=O)C)Cl)C)Cl
InChi [?]:
InChI=1/C18H17Cl3N2O3/c1-9-15(19)10(2)17(21)18(16(9)20)26-8-14(25)23-13-6-4-12(5-7-13)22-11(3)24/h4-7H,8H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,23,16,18,15,19,10,2,4,21,17,14,11,3,7,5,6,26,8,24,20,13,22,12,9/E:(1,2)(4,5)(6,7)(9,10)(16,17)(20,21)/rA:26nCCCCCCCClOCCONCCCCCCNCOCClCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl3N2O3
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0669
Area:613.014
Solvation:-5.25849
Coulombic:-47.347
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.697
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):4.69

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Descriptor Annotations

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