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Chemical ID: 5586771
Chemical ID:
5586771
Name [?]:
N,N'-bis(2,5-dichlorophenyl)cyclohexane-1,3-dicarboxamide
SMILES [?]:
c1cc(c(cc1Cl)NC(=O)C2CCCC(C2)C(=O)Nc3cc(ccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C20H18Cl4N2O2/c21-13-4-6-15(23)17(9-13)25-19(27)11-2-1-3-12(8-11)20(28)26-18-10-14(22)5-7-16(18)24/h4-7,9-12H,1-3,8H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,23,2,24,16,5,21,11,15,6,22,3,25,4,20,9,17,7,27,28,26,8,19,10,18/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28cCCCCCCClNCOCCCCCCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl4N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.7843 |
Area: | 668.574 |
Solvation: | -2.93009 |
Coulombic: | -43.1458 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 460.18 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.66 |
LogP (Chemaxon): | 4.89 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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