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Chemical ID: 5517302
Chemical ID:
5517302
Name [?]:
1-cyclohexyl-N-(2,3-dichlorophenyl)-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChi [?]:
InChI=1/C17H20Cl2N2O2/c18-13-7-4-8-14(16(13)19)20-17(23)11-9-15(22)21(10-11)12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,19,23,6,2,13,17,12,18,5,3,14,4,10,7,8,9,16,15,11/E:(2,3)(5,6)/rA:23cCCCCCCClClNCOCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6744 |
Area: | 539.689 |
Solvation: | -2.81779 |
Coulombic: | -36.7481 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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