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Chemical ID: 6397645
Chemical ID:
6397645
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(2-chlorophenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-8-11(16)6-7-14(10)20-9-15(19)18-13-5-3-2-4-12(13)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,5,6,3,9,2,4,18,13,7,10,20,19,12,11,8/rA:20nCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0618 |
Area: | 506.474 |
Solvation: | -3.60006 |
Coulombic: | -30.0854 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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