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Chemical ID: 3960580
Chemical ID:
3960580
Name [?]:
N'-isopentyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)CCNC(=O)C1CCCN1C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H24FN3O2/c1-12(2)9-10-19-16(22)15-8-5-11-21(15)17(23)20-14-7-4-3-6-13(14)18/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,11,21,18,10,4,5,12,2,22,17,9,7,14,23,6,16,13,8,15/E:(1,2)/rA:23cCCCCCNCOCCCCNCONCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.80881 |
Area: | 539.337 |
Solvation: | -3.67462 |
Coulombic: | -56.4265 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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