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Chemical ID: 3960651
Chemical ID:
3960651
Name [?]:
N'-isopropyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)NC(=O)C1CCCN1C(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C16H20F3N3O2/c1-10(2)20-14(23)13-8-5-9-22(13)15(24)21-12-7-4-3-6-11(12)16(17,18)19/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,9,19,16,8,10,2,20,15,7,5,12,21,22,23,24,4,14,11,6,13/E:(1,2)(17,18,19)/rA:24cCCCNCOCCCCNCONCCCCCCCFFF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20F3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.29126 |
Area: | 513.582 |
Solvation: | -3.5483 |
Coulombic: | -70.0457 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.344 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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