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Chemical ID: 6849084
Chemical ID:
6849084
Name [?]:
N-(3,5-dichlorophenyl)-4-(2-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-12-5-2-3-6-16(12)22-8-4-7-17(21)20-15-10-13(18)9-14(19)11-15/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,10,3,6,11,9,18,16,20,2,17,19,15,7,12,22,21,14,13,8/E:(10,11)(13,14)(18,19)/rA:22nCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5666 |
Area: | 564.391 |
Solvation: | -3.54315 |
Coulombic: | -28.5682 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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