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Chemical ID: 6404587
Chemical ID:
6404587
Name [?]:
N,N'-bis(3-chloro-2-methyl-phenyl)propanediamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O2/c1-10-12(18)5-3-7-14(10)20-16(22)9-17(23)21-15-8-4-6-13(19)11(15)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,5,18,6,19,4,17,12,2,21,7,20,3,16,10,13,8,23,9,15,11,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/gE:(1,2)/rA:23nCCCCCCCClNCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51448 |
Area: | 547.733 |
Solvation: | -4.17884 |
Coulombic: | -39.1315 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.97 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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