Chemical ID: 6664053

CC(=O)C(CC(C(=O)C)C(=O)Nc1ccccc1Cl)C(=O)Nc2ccccc2Cl
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

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Descriptor Annotations

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