Chemical ID: 3944508

c1ccc(cc1)CNC(=O)C2CCCN2C(=O)Nc3cccc(c3)Cl
Chemical ID:
3944508
Name [?]:
N'-benzyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C2CCCN2C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H20ClN3O2/c20-15-8-4-9-16(12-15)22-19(25)23-11-5-10-17(23)18(24)21-13-14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,13,3,5,22,20,12,14,24,7,4,23,19,11,9,16,25,8,18,15,10,17/E:(2,3)(6,7)/rA:25cCCCCCCCNCOCCCCNCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.0439
Area:582.724
Solvation:-3.52416
Coulombic:-53.199
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.834
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):3.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue