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Chemical ID: 3960733
Chemical ID:
3960733
Name [?]:
N'-(o-tolyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
Cc1ccccc1NC(=O)C2CCCN2C(=O)Nc3ccc(cc3F)F
InChi [?]:
InChI=1/C19H19F2N3O2/c1-12-5-2-3-6-15(12)22-18(25)17-7-4-10-24(17)19(26)23-16-9-8-13(20)11-14(16)21/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,3,6,12,21,20,14,23,2,22,24,7,19,11,9,16,26,25,8,18,15,10,17/rA:26cCCCCCCCNCOCCCCNCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19F2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.84127 |
Area: | 546.294 |
Solvation: | -4.81609 |
Coulombic: | -57.881 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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