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Chemical ID: 4203856
Chemical ID:
4203856
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-(2-chlorophenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-8-11(6-7-12(10)16)20-9-15(19)18-14-5-3-2-4-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,6,3,10,2,4,7,19,14,11,8,20,13,12,9/rA:20nCCCCCCCClOCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95457 |
Area: | 504.436 |
Solvation: | -3.65633 |
Coulombic: | -30.0816 |
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: | 4.14 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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