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Chemical ID: 6400948
Chemical ID:
6400948
Name [?]:
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NC(=O)CCCCCCCCCCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C24H28Cl4N2O2/c25-17-11-9-13-19(23(17)27)29-21(31)15-7-5-3-1-2-4-6-8-16-22(32)30-20-14-10-12-18(26)24(20)28/h9-14H,1-8,15-16H2,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,14,19,13,20,1,27,6,28,2,26,12,21,5,29,3,25,10,22,4,30,7,32,8,31,9,24,11,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:32nCCCCCCClClNCOCCCCCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28Cl4N2O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 17.3325 |
Area: | 811.662 |
Solvation: | -2.95909 |
Coulombic: | -44.7265 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 518.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 8.62 |
LogP (Chemaxon): | 6.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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