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Chemical ID: 6534213
Chemical ID:
6534213
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-phenoxyphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C21H18ClNO3/c1-15-7-8-16(13-20(15)22)23-21(24)14-25-17-9-11-19(12-10-17)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,3,4,15,19,16,18,6,12,2,5,14,21,17,7,10,8,9,11,13,20/E:(3,4)(5,6)(9,10)(11,12)/rA:26nCCCCCCCClNCOCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8869 |
Area: | 591.819 |
Solvation: | -4.90857 |
Coulombic: | -37.3419 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.0 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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