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Chemical ID: 4151879
Chemical ID:
4151879
Name [?]:
N-(2-chlorophenyl)-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-6-5-9-15(12(11)2)20-10-16(19)18-14-8-4-3-7-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,4,3,18,15,5,10,2,7,19,14,6,11,20,13,12,9/rA:20nCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68508 |
Area: | 489.99 |
Solvation: | -3.56468 |
Coulombic: | -30.0171 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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