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Chemical ID: 6372416
Chemical ID:
6372416
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[3-[2-(4-chloro-2-methyl-phenoxy)acetyl]aminopropyl]acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NCCCNC(=O)COc2ccc(cc2C)Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N2O4/c1-14-10-16(22)4-6-18(14)28-12-20(26)24-8-3-9-25-21(27)13-29-19-7-5-17(23)11-15(19)2/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,14,5,23,6,22,13,15,3,25,9,19,2,26,4,24,7,21,10,17,29,28,12,16,11,18,8,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCOCCONCCCNCOCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24Cl2N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.674 |
Area: | 719.282 |
Solvation: | -7.30809 |
Coulombic: | -56.8948 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 439.332 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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