Chemical ID: 3960593

CC(C)NC(=O)C1CCCN1C(=O)Nc2ccccc2F
Chemical ID:
3960593
Name [?]:
N'-isopropyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)NC(=O)C1CCCN1C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C15H20FN3O2/c1-10(2)17-14(20)13-8-5-9-19(13)15(21)18-12-7-4-3-6-11(12)16/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,9,19,16,8,10,2,20,15,7,5,12,21,4,14,11,6,13/E:(1,2)/rA:21cCCCNCOCCCCNCONCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20FN3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.45578
Area:484.831
Solvation:-3.66498
Coulombic:-55.5822
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.337
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.88
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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