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Chemical ID: 6536940
Chemical ID:
6536940
Name [?]:
N-(3,4-dichlorophenyl)-2-(3-isobutoxyphenoxy)-acetamide
SMILES [?]:
CC(C)COc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO3/c1-12(2)10-23-14-4-3-5-15(9-14)24-11-18(22)21-13-6-7-16(19)17(20)8-13/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,18,19,22,11,4,13,2,17,6,10,20,21,14,24,23,16,15,5,12/E:(1,2)/rA:24nCCCCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6321 |
Area: | 596.509 |
Solvation: | -5.28063 |
Coulombic: | -36.5617 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.91 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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