ChemDB: Chemical Search
Download
Chemical ID: 7521126
Chemical ID:
7521126
Name [?]:
N-(4-bromo-2-chloro-phenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(c(cc1Br)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChi [?]:
InChI=1/C17H20BrClN2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,23,1,2,13,5,17,12,6,18,4,3,14,10,7,8,9,16,15,11/E:(2,3)(4,5)/rA:23cCCCCCCBrClNCOCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20BrClN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8277 |
Area: | 543.432 |
Solvation: | -2.75809 |
Coulombic: | -36.2564 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
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 |
---|