Chemical ID: 3960580

CC(C)CCNC(=O)C1CCCN1C(=O)Nc2ccccc2F
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

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Descriptor Annotations

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