ChemDB: Chemical Search
Download
Chemical ID: 3960588
Chemical ID:
3960588
Name [?]:
N'-(o-tolyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
Cc1ccccc1NC(=O)C2CCCN2C(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C19H20FN3O2/c1-13-7-2-4-9-15(13)21-18(24)17-11-6-12-23(17)19(25)22-16-10-5-3-8-14(16)20/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,22,5,21,13,3,23,6,20,12,14,2,24,7,19,11,9,16,25,8,18,15,10,17/rA:25cCCCCCCCNCOCCCCNCONCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.41683 |
Area: | 539.027 |
Solvation: | -4.05885 |
Coulombic: | -55.7334 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.5 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|