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Chemical ID: 4156091
Chemical ID:
4156091
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(2,6-diethylphenyl)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccc(cc2C)Cl)CC
InChi [?]:
InChI=1/C19H22ClNO2/c1-4-14-7-6-8-15(5-2)19(14)21-18(22)12-23-17-10-9-16(20)11-13(17)3/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,20,2,22,5,4,6,16,15,18,12,19,3,7,17,14,10,8,21,9,11,13/E:(1,2)(4,5)(7,8)(14,15)/rA:23nCCCCCCCCNCOCOCCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s7;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9041 |
Area: | 556.567 |
Solvation: | -4.01007 |
Coulombic: | -29.557 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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