Chemical ID: 6544761

Cc1cc(ccc1OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)(C)C
Chemical ID:
6544761
Name [?]:
N-(2,5-dichlorophenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)(C)C
InChi [?]:
InChI=1/C19H21Cl2NO2/c1-12-9-13(19(2,3)4)5-8-17(12)24-11-18(23)22-16-10-14(20)6-7-15(16)21/h5-10H,11H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,5,16,17,6,3,14,9,2,4,15,18,13,7,10,21,20,19,12,11,8/E:(2,3,4)/rA:24nCCCCCCCOCCONCCCCCCClClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s4;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21Cl2NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0985
Area:587.73
Solvation:-3.59477
Coulombic:-30.6597
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.96
LogP (Chemaxon):5.36

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Descriptor Annotations

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