ChemDB: Chemical Search
Download
Chemical ID: 5892947
Chemical ID:
5892947
Name [?]:
5-(2,4-dichlorobenzoyl)amino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C23H25Cl2N3O3/c24-15-5-7-18(20(25)12-15)23(30)27-16-6-8-21(28-9-1-2-10-28)19(13-16)22(29)26-14-17-4-3-11-31-17/h5-8,12-13,17H,1-4,9-11,14H2,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:29,30,24,23,12,1,11,2,28,31,25,14,5,21,13,6,22,10,4,15,3,18,8,17,16,20,7,27,19,9,26/E:(1,2)(9,10)/rA:31cCCCCCCNCOCCCCCCClClCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s4;d18;s18;s20;s21;s22;s23;s24;s22s25;s3;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25Cl2N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8421 |
Area: | 692.709 |
Solvation: | -5.47558 |
Coulombic: | -56.1759 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 462.368 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.71 |
LogP (Chemaxon): | 3.86 |
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 |
---|