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Chemical ID: 6502921
Chemical ID:
6502921
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)C(C)(C)c3ccccc3
InChi [?]:
InChI=1/C24H24ClNO2/c1-17-9-12-20(15-22(17)25)26-23(27)16-28-21-13-10-19(11-14-21)24(2,3)18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,21,22,26,25,27,24,28,3,16,18,4,15,19,6,12,2,23,17,5,14,7,10,20,8,9,11,13/E:(2,3)(5,6)(7,8)(10,11)(13,14)/rA:28nCCCCCCCClNCOCOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClNO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5392 |
Area: | 629.93 |
Solvation: | -4.20907 |
Coulombic: | -31.7198 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.906 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.83 |
LogP (Chemaxon): | 6.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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