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Chemical ID: 5193369
Chemical ID:
5193369
Name [?]:
N'-isopropyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)NC(=O)C1CCCN1C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H19F2N3O2/c1-9(2)18-14(21)13-4-3-7-20(13)15(22)19-12-6-5-10(16)8-11(12)17/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,17,16,10,19,2,18,20,15,7,5,12,22,21,4,14,11,6,13/E:(1,2)/rA:22cCCCNCOCCCCNCONCCCCCCFF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19F2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.84925 |
Area: | 490.275 |
Solvation: | -4.40763 |
Coulombic: | -57.7403 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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