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Chemical ID: 6335260
Chemical ID:
6335260
Name [?]:
N-(3-chlorophenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H22ClNO2/c1-23(2,17-7-4-3-5-8-17)18-11-13-21(14-12-18)27-16-22(26)25-20-10-6-9-19(24)15-20/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,7,6,8,23,5,9,24,22,11,15,12,14,26,17,4,10,25,21,13,18,2,27,20,19,16/E:(1,2)(4,5)(7,8)(11,12)(13,14)/rA:27nCCCCCCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22ClNO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0297 |
Area: | 613.153 |
Solvation: | -4.29916 |
Coulombic: | -31.7732 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.879 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.61 |
LogP (Chemaxon): | 6.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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