Chemical ID: 3960651

CC(C)NC(=O)C1CCCN1C(=O)Nc2ccccc2C(F)(F)F
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

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Descriptor Annotations

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