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Chemical ID: 6664053
Chemical ID:
6664053
Name [?]:
2,4-diacetyl-N,N'-bis(2-chlorophenyl)-pentanediamide
SMILES [?]:
CC(=O)C(CC(C(=O)C)C(=O)Nc1ccccc1Cl)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C21H20Cl2N2O4/c1-12(26)14(20(28)24-18-9-5-3-7-16(18)22)11-15(13(2)27)21(29)25-19-10-6-4-8-17(19)23/h3-10,14-15H,11H2,1-2H3,(H,24,28)(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,9,26,16,25,15,27,17,24,14,5,2,7,4,6,28,18,23,13,20,10,29,19,22,12,3,8,21,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29cCCOCCCCOCCONCCCCCCClCONCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;d7;s7;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20Cl2N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4262 |
Area: | 651.973 |
Solvation: | -4.87314 |
Coulombic: | -54.6077 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 435.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.48 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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